2-(3-methylcyclohexyl)-1-phenylpropan-1-ol

C16H24O — CID 104846164

IUPAC2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
SMILESCC1CCCC(C(C)C(O)c2ccccc2)C1
InChIInChI=1S/C16H24O/c1-12-7-6-10-15(11-12)13(2)16(17)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-17H,6-7,10-11H2,1-2H3
InChIKeyPAYIEUIESXMHRZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.18
Rot. Bonds3

About 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol

2-(3-methylcyclohexyl)-1-phenylpropan-1-ol (PubChem CID 104846164) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
PubChem CID104846164
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
SMILESCC1CCCC(C(C)C(O)c2ccccc2)C1
InChIInChI=1S/C16H24O/c1-12-7-6-10-15(11-12)13(2)16(17)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-17H,6-7,10-11H2,1-2H3
InChIKeyPAYIEUIESXMHRZ-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylcyclohexyl)pentan-3-ol
CID 79436238
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459354
4-[(4-hydroxyphenyl)-(3-methylcyclohexyl)methyl]phenol
CID 176616268
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516
1-cyclobutylethylbenzene
CID 22024745
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The IUPAC name of 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol (CID 104846164) is 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol.
What is the SMILES notation for 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The canonical SMILES for 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol is CC1CCCC(C(C)C(O)c2ccccc2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
The InChIKey is PAYIEUIESXMHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12-7-6-10-15(11-12)13(2)16(17)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-17H,6-7,10-11H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol?
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-1-phenylpropan-1-ol is sourced from PubChem (CID 104846164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).