3-(4-cyclohexylphenyl)-3-methylbutan-2-one

C17H24O — CID 82294466

IUPAC3-(4-cyclohexylphenyl)-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24O/c1-13(18)17(2,3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
InChIKeyMVIOWMDAPAAFEK-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.60
Rot. Bonds3

About 3-(4-cyclohexylphenyl)-3-methylbutan-2-one

3-(4-cyclohexylphenyl)-3-methylbutan-2-one (PubChem CID 82294466) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)-3-methylbutan-2-one
PubChem CID82294466
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3-(4-cyclohexylphenyl)-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24O/c1-13(18)17(2,3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3
InChIKeyMVIOWMDAPAAFEK-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
3-(4-cyclopentylphenyl)-3-methylbutanoic acid
CID 117368480
2-(4-cyclobutylphenyl)-2-hydroxypropanal
CID 116505401
[1-chloro-1-(4-cyclohexylphenyl)propyl] acetate
CID 67594889
2-(4-cyclobutylphenyl)-3,3-dimethylbutan-2-ol
CID 116505450
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
CID 124662300
1-(4-cyclopropylphenyl)ethane-1,1-diol
CID 91219710

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)-3-methylbutan-2-one?
The IUPAC name of 3-(4-cyclohexylphenyl)-3-methylbutan-2-one (CID 82294466) is 3-(4-cyclohexylphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-(4-cyclohexylphenyl)-3-methylbutan-2-one?
The canonical SMILES for 3-(4-cyclohexylphenyl)-3-methylbutan-2-one is CC(=O)C(C)(C)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 3-(4-cyclohexylphenyl)-3-methylbutan-2-one?
The InChIKey is MVIOWMDAPAAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-13(18)17(2,3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-(4-cyclohexylphenyl)-3-methylbutan-2-one?
3-(4-cyclohexylphenyl)-3-methylbutan-2-one has a molecular weight of 244.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 82294466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).