1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol

C16H24O3 — CID 64756637

IUPAC1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(C)CC2C)cc1OC
InChIInChI=1S/C16H24O3/c1-11-7-8-16(17,12(2)9-11)13-5-6-14(18-3)15(10-13)19-4/h5-6,10-12,17H,7-9H2,1-4H3
InChIKeyOFFCBZYUKRGOMP-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.35
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol

1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol (PubChem CID 64756637) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol
PubChem CID64756637
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCC(C)CC2C)cc1OC
InChIInChI=1S/C16H24O3/c1-11-7-8-16(17,12(2)9-11)13-5-6-14(18-3)15(10-13)19-4/h5-6,10-12,17H,7-9H2,1-4H3
InChIKeyOFFCBZYUKRGOMP-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol (CID 64756637) is 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol is COc1ccc(C2(O)CCC(C)CC2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol?
The InChIKey is OFFCBZYUKRGOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-7-8-16(17,12(2)9-11)13-5-6-14(18-3)15(10-13)19-4/h5-6,10-12,17H,7-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol?
1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64756637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).