1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol

C15H22O2 — CID 103459354

IUPAC1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
SMILESCC1CCC(C(O)C(O)c2ccccc2)CC1
InChIInChI=1S/C15H22O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-6,11,13-17H,7-10H2,1H3
InChIKeyVQMOSWAPBSGXCE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol

1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol (PubChem CID 103459354) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
PubChem CID103459354
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol
SMILESCC1CCC(C(O)C(O)c2ccccc2)CC1
InChIInChI=1S/C15H22O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-6,11,13-17H,7-10H2,1H3
InChIKeyVQMOSWAPBSGXCE-UHFFFAOYSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(4-phenylphenyl)ethane-1,2-diol
CID 103456996
(1S,2S)-1-(oxetan-3-yl)-2-phenylethane-1,2-diol
CID 132578778
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
1,2-diphenylethane-1,2-diol
CID 159073808
(4-methylcyclohexyl)-(1-phenylcyclopropyl)methanol
CID 64774187
2-methoxy-N-methyl-1-(4-methylcyclohexyl)-2-phenylethanamine
CID 116772639
1-cyclopentyl-2-methoxy-2-phenylethanol
CID 116756943
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
1-(3-methylsulfonylcyclohexyl)-2-phenylethane-1,2-diol
CID 103459516

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol?
The IUPAC name of 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol (CID 103459354) is 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol is CC1CCC(C(O)C(O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol?
The InChIKey is VQMOSWAPBSGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-7-9-13(10-8-11)15(17)14(16)12-5-3-2-4-6-12/h2-6,11,13-17H,7-10H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol?
1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol has a molecular weight of 234.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-phenylethane-1,2-diol is sourced from PubChem (CID 103459354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).