1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol

C18H28O — CID 63407188

IUPAC1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCc1ccc(CC2(O)CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C18H28O/c1-13(2)17-7-9-18(19,10-8-17)12-16-6-5-14(3)15(4)11-16/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeyHMJGWTWUWNETBE-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.42
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol

1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 63407188) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID63407188
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCc1ccc(CC2(O)CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C18H28O/c1-13(2)17-7-9-18(19,10-8-17)12-16-6-5-14(3)15(4)11-16/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeyHMJGWTWUWNETBE-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407030
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65090870
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117298022
1-[(3-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79701739
1-[(3,4-dimethylphenyl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65050312
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63411417
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449763
3-[(3,4-dimethylphenyl)methyl]-3-methylcyclopentan-1-ol
CID 116539985

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol (CID 63407188) is 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol is Cc1ccc(CC2(O)CCC(C(C)C)CC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is HMJGWTWUWNETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-13(2)17-7-9-18(19,10-8-17)12-16-6-5-14(3)15(4)11-16/h5-6,11,13,17,19H,7-10,12H2,1-4H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.42, 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 63407188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).