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Chemistry

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Also known as: 128922-70-3, 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one, Dpmc, 5,8-dihydroxy-2-(4-methoxyphenethyl)-4h-chromen-4-one, Schembl16983578, Dtxsid30156004
Molecular Formula
C18H16O5
Molecular Weight
312.3  g/mol
InChI Key
PCLFEHAPITXKJL-UHFFFAOYSA-N

Phospholipon Mc
1 2D Structure

Phospholipon Mc

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
2.1.2 InChI
InChI=1S/C18H16O5/c1-22-12-5-2-11(3-6-12)4-7-13-10-16(21)17-14(19)8-9-15(20)18(17)23-13/h2-3,5-6,8-10,19-20H,4,7H2,1H3
2.1.3 InChI Key
PCLFEHAPITXKJL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Dpmc

2.2.2 Depositor-Supplied Synonyms

1. 128922-70-3

2. 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one

3. Dpmc

4. 5,8-dihydroxy-2-(4-methoxyphenethyl)-4h-chromen-4-one

5. Schembl16983578

6. Dtxsid30156004

7. 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-4h-1-benzopyran-4-one

8. 5,8-dihydroxy-2-[2-(4'-methoxyphenyl) Ethyl]chromone

9. 4h-1-benzopyran-4-one, 5,8-dihydroxy-2-(2-(4-methoxyphenyl)ethyl)-

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 312.3 g/mol
Molecular Formula C18H16O5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass312.09977361 g/mol
Monoisotopic Mass312.09977361 g/mol
Topological Polar Surface Area76 Ų
Heavy Atom Count23
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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