1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one

C17H24O — CID 118698010

IUPAC1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
SMILESCC(C)(C)C(=O)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C17H24O/c1-17(2,3)16(18)15(14-11-7-8-12-14)13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3
InChIKeyDXVDRFDSWBAJBL-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.58
Rot. Bonds3

About 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one

1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one (PubChem CID 118698010) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
PubChem CID118698010
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
SMILESCC(C)(C)C(=O)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C17H24O/c1-17(2,3)16(18)15(14-11-7-8-12-14)13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3
InChIKeyDXVDRFDSWBAJBL-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
2-cyclopentyl-N,2-diphenylacetamide
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CID 4556080
(1R)-3,3-dimethyl-1-phenyl-1-pyrrolidin-1-ylbutan-2-one
CID 59470882
2,2,2-trichloroethyl 2-cyclohexyl-2-phenylacetate
CID 132507393
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
CID 2796967
2-cyclohexyl-2-phenylethanethioamide
CID 82082945
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
(2R)-2-cyclopentyl-2-phenyl-N-[(R)-phenyl-(4-phenylphenyl)methyl]acetamide
CID 40909844

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one?
The IUPAC name of 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one (CID 118698010) is 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one.
What is the SMILES notation for 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one?
The canonical SMILES for 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one is CC(C)(C)C(=O)C(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one?
The InChIKey is DXVDRFDSWBAJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-17(2,3)16(18)15(14-11-7-8-12-14)13-9-5-4-6-10-13/h4-6,9-10,14-15H,7-8,11-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one?
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one has a molecular weight of 244.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one is sourced from PubChem (CID 118698010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).