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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Neo sampoon, Nsc15114, Chembl2106527, Nsc-15114

Molecular Formula

C₁₆H₂₄O

Molecular Weight

232.36 g/mol

InChI Key

NMXDTPBZWZGMMO-UHFFFAOYSA-N

1 2D Structure

Menfegol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-methyl-5-propan-2-ylcyclohexyl)phenol

2.1.2 InChI

InChI=1S/C16H24O/c1-11(2)14-5-4-12(3)16(10-14)13-6-8-15(17)9-7-13/h6-9,11-12,14,16-17H,4-5,10H2,1-3H3

2.1.3 InChI Key

NMXDTPBZWZGMMO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1CCC(CC1C2=CC=C(C=C2)O)C(C)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Menfegal

2. Menphegal

3. Menphegol

4. Neo Sampoon

5. P-menthanylphenyl Polyoxyethylene Ether

6. Ts 88

7. Ts-88

2.2.2 Depositor-Supplied Synonyms

1. Neo Sampoon

2. Nsc15114

3. Chembl2106527

4. Nsc-15114

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₄O
Molecular Weight	232.36 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	232.182715385 g/mol
Monoisotopic Mass	232.182715385 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	228
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1