1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol

C17H26O — CID 63406863

IUPAC1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H26O/c1-4-15-7-9-17(18,10-8-15)12-16-6-5-13(2)14(3)11-16/h5-6,11,15,18H,4,7-10,12H2,1-3H3
InChIKeyAQKGTGPHLRTNKM-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.18
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol

1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 63406863) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID63406863
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H26O/c1-4-15-7-9-17(18,10-8-15)12-16-6-5-13(2)14(3)11-16/h5-6,11,15,18H,4,7-10,12H2,1-3H3
InChIKeyAQKGTGPHLRTNKM-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol (CID 63406863) is 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(Cc2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is AQKGTGPHLRTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-15-7-9-17(18,10-8-15)12-16-6-5-13(2)14(3)11-16/h5-6,11,15,18H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol?
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 63406863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).