2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol

C16H22O2 — CID 106650901

IUPAC2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)C2=CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-16(17,14-6-4-3-5-7-14)12-13-8-10-15(18-2)11-9-13/h6,8-11,17H,3-5,7,12H2,1-2H3
InChIKeyHUOQISKLSISRSZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.49
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol

2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 106650901) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
PubChem CID106650901
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(C)(O)C2=CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-16(17,14-6-4-3-5-7-14)12-13-8-10-15(18-2)11-9-13/h6,8-11,17H,3-5,7,12H2,1-2H3
InChIKeyHUOQISKLSISRSZ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1E)-cycloocten-1-yl]-1-(4-fluorophenyl)propan-2-ol
CID 106651664
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
1-(4-methoxyphenyl)-2-(2-methylphenyl)propan-2-ol
CID 55169667
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 95983011
2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-2-ol
CID 63273431
1-(cyclohexen-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62078293
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
1-(cyclopropylamino)-3-(4-methoxyphenyl)-2-methylpropan-2-ol
CID 63270705

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol (CID 106650901) is 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol is COc1ccc(CC(C)(O)C2=CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is HUOQISKLSISRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(17,14-6-4-3-5-7-14)12-13-8-10-15(18-2)11-9-13/h6,8-11,17H,3-5,7,12H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol?
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 246.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 106650901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).