1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C19H30O — CID 63406861

IUPAC1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30O/c1-6-18(4,5)16-9-11-19(20,12-10-16)17-8-7-14(2)13-15(17)3/h7-8,13,16,20H,6,9-12H2,1-5H3
InChIKeySQGSETIBGDTRAS-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.12
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 63406861) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID63406861
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H30O/c1-6-18(4,5)16-9-11-19(20,12-10-16)17-8-7-14(2)13-15(17)3/h7-8,13,16,20H,6,9-12H2,1-5H3
InChIKeySQGSETIBGDTRAS-UHFFFAOYSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 63406861) is 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is SQGSETIBGDTRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-6-18(4,5)16-9-11-19(20,12-10-16)17-8-7-14(2)13-15(17)3/h7-8,13,16,20H,6,9-12H2,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 274.45 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 63406861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).