[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol

C15H22O2 — CID 139793925

IUPAC[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
SMILESCC1CCC(CO)(CO)C(c2ccccc2)C1
InChIInChI=1S/C15H22O2/c1-12-7-8-15(10-16,11-17)14(9-12)13-5-3-2-4-6-13/h2-6,12,14,16-17H,7-11H2,1H3
InChIKeyGNJLGDWWBUMCEP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.56
Rot. Bonds3

About [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol

[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol (PubChem CID 139793925) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
PubChem CID139793925
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
SMILESCC1CCC(CO)(CO)C(c2ccccc2)C1
InChIInChI=1S/C15H22O2/c1-12-7-8-15(10-16,11-17)14(9-12)13-5-3-2-4-6-13/h2-6,12,14,16-17H,7-11H2,1H3
InChIKeyGNJLGDWWBUMCEP-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol?
The IUPAC name of [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol (CID 139793925) is [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol is CC1CCC(CO)(CO)C(c2ccccc2)C1.
What is the InChIKey of [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol?
The InChIKey is GNJLGDWWBUMCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-7-8-15(10-16,11-17)14(9-12)13-5-3-2-4-6-13/h2-6,12,14,16-17H,7-11H2,1H3.
What are the key properties of [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol?
[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol is sourced from PubChem (CID 139793925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).