1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol

C17H26O — CID 64748987

IUPAC1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCc1ccc(C(C)(O)C2CCC(C)CC2)cc1C
InChIInChI=1S/C17H26O/c1-12-5-8-15(9-6-12)17(4,18)16-10-7-13(2)14(3)11-16/h7,10-12,15,18H,5-6,8-9H2,1-4H3
InChIKeyFBLKNEYZNMZXFR-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.34
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol

1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol (PubChem CID 64748987) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
PubChem CID64748987
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCc1ccc(C(C)(O)C2CCC(C)CC2)cc1C
InChIInChI=1S/C17H26O/c1-12-5-8-15(9-6-12)17(4,18)16-10-7-13(2)14(3)11-16/h7,10-12,15,18H,5-6,8-9H2,1-4H3
InChIKeyFBLKNEYZNMZXFR-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.34
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)-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol (CID 64748987) is 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol is Cc1ccc(C(C)(O)C2CCC(C)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol?
The InChIKey is FBLKNEYZNMZXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-12-5-8-15(9-6-12)17(4,18)16-10-7-13(2)14(3)11-16/h7,10-12,15,18H,5-6,8-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol?
1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol has a molecular weight of 246.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-1-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 64748987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).