1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C20H32O — CID 63407030

IUPAC1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H32O/c1-6-19(4,5)18-9-11-20(21,12-10-18)14-17-8-7-15(2)16(3)13-17/h7-8,13,18,21H,6,9-12,14H2,1-5H3
InChIKeyBIXXJJHBOXQRCH-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.20
Rot. Bonds4

About 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 63407030) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID63407030
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C20H32O/c1-6-19(4,5)18-9-11-20(21,12-10-18)14-17-8-7-15(2)16(3)13-17/h7-8,13,18,21H,6,9-12,14H2,1-5H3
InChIKeyBIXXJJHBOXQRCH-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863
1-[(3,4-dimethylphenyl)methyl]cyclopropan-1-ol
CID 62669689
1-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63407188
1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147632
1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147531
1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147375
1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 83171605
1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406861
1-[(3,4-dimethylphenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873859
1-[(3,4-dichlorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407520
1-(2,6-difluoro-3-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 82803679
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 63407030) is 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(Cc2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is BIXXJJHBOXQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-6-19(4,5)18-9-11-20(21,12-10-18)14-17-8-7-15(2)16(3)13-17/h7-8,13,18,21H,6,9-12,14H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.20, 4 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-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 63407030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).