4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol

C18H28O — CID 114980328

IUPAC4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol
SMILESCc1cc(C)cc(CC(O)CCC2CCCCC2)c1
InChIInChI=1S/C18H28O/c1-14-10-15(2)12-17(11-14)13-18(19)9-8-16-6-4-3-5-7-16/h10-12,16,18-19H,3-9,13H2,1-2H3
InChIKeyMZXKSRUTVGQNDH-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.57
Rot. Bonds5

About 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol

4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol (PubChem CID 114980328) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol
PubChem CID114980328
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol
SMILESCc1cc(C)cc(CC(O)CCC2CCCCC2)c1
InChIInChI=1S/C18H28O/c1-14-10-15(2)12-17(11-14)13-18(19)9-8-16-6-4-3-5-7-16/h10-12,16,18-19H,3-9,13H2,1-2H3
InChIKeyMZXKSRUTVGQNDH-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509
1,5-dicyclohexylpentan-3-ol
CID 56981010
1,3-bis(3,5-dimethylphenyl)propan-2-ol
CID 63411020
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
CID 103043661
4-cyclopentyl-1-(6-methoxy-3-pyridinyl)butan-2-ol
CID 114192018
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
4-cyclohexyl-1-(furan-2-yl)butan-2-ol
CID 115830128
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
3-cyclohexyl-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 115794441

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol?
The IUPAC name of 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol (CID 114980328) is 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol.
What is the SMILES notation for 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol?
The canonical SMILES for 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol is Cc1cc(C)cc(CC(O)CCC2CCCCC2)c1.
What is the InChIKey of 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol?
The InChIKey is MZXKSRUTVGQNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-14-10-15(2)12-17(11-14)13-18(19)9-8-16-6-4-3-5-7-16/h10-12,16,18-19H,3-9,13H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol?
4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol has a molecular weight of 260.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol is sourced from PubChem (CID 114980328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).