[2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol

C16H22O2 — CID 145122115

IUPAC[2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol
SMILESCOCc1cc(C2=CCC(C)CC2)ccc1CO
InChIInChI=1S/C16H22O2/c1-12-3-5-13(6-4-12)14-7-8-15(10-17)16(9-14)11-18-2/h5,7-9,12,17H,3-4,6,10-11H2,1-2H3
InChIKeyIDVBNCGSPAQNLU-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.53
Rot. Bonds4

About [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol

[2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol (PubChem CID 145122115) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol
PubChem CID145122115
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name[2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol
SMILESCOCc1cc(C2=CCC(C)CC2)ccc1CO
InChIInChI=1S/C16H22O2/c1-12-3-5-13(6-4-12)14-7-8-15(10-17)16(9-14)11-18-2/h5,7-9,12,17H,3-4,6,10-11H2,1-2H3
InChIKeyIDVBNCGSPAQNLU-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol?
The IUPAC name of [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol (CID 145122115) is [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol?
The canonical SMILES for [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol is COCc1cc(C2=CCC(C)CC2)ccc1CO.
What is the InChIKey of [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol?
The InChIKey is IDVBNCGSPAQNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-3-5-13(6-4-12)14-7-8-15(10-17)16(9-14)11-18-2/h5,7-9,12,17H,3-4,6,10-11H2,1-2H3.
What are the key properties of [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol?
[2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol has a molecular weight of 246.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-4-(4-methylcyclohexen-1-yl)phenyl]methanol is sourced from PubChem (CID 145122115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).