1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol

C16H24O3 — CID 114794874

IUPAC1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2CCCCC2)cc1OC
InChIInChI=1S/C16H24O3/c1-16(17,12-7-5-4-6-8-12)13-9-10-14(18-2)15(11-13)19-3/h9-12,17H,4-8H2,1-3H3
InChIKeyZWSFSSKABIUTMX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds4

About 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol

1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 114794874) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID114794874
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2CCCCC2)cc1OC
InChIInChI=1S/C16H24O3/c1-16(17,12-7-5-4-6-8-12)13-9-10-14(18-2)15(11-13)19-3/h9-12,17H,4-8H2,1-3H3
InChIKeyZWSFSSKABIUTMX-UHFFFAOYSA-N
XLogP3.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 114194209
4-(1-cyclohexyl-1-hydroxyethyl)phenol
CID 83075432
1-cyclobutyl-2-(3,4-dimethoxyphenyl)propan-2-ol
CID 113490189
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
CID 82305735
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1-(4-bromophenyl)-1-cycloheptylethanol
CID 82928373
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110
1-(3,4-dimethoxyphenyl)-1-phenylethanol
CID 55116125
1-cyclopropyl-1-(6-methoxynaphthalen-2-yl)ethanol
CID 91658263
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846
1-cyclohexyl-1-(3-propan-2-yloxyphenyl)ethanol
CID 114794965
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol (CID 114794874) is 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol is COc1ccc(C(C)(O)C2CCCCC2)cc1OC.
What is the InChIKey of 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is ZWSFSSKABIUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-16(17,12-7-5-4-6-8-12)13-9-10-14(18-2)15(11-13)19-3/h9-12,17H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol?
1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 264.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 114794874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).