4,4-dimethyl-2-phenylcyclopentan-1-one

C13H16O — CID 11106110

IUPAC4,4-dimethyl-2-phenylcyclopentan-1-one
SMILESCC1(C)CC(=O)C(c2ccccc2)C1
InChIInChI=1S/C13H16O/c1-13(2)8-11(12(14)9-13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyFHNAXSXBVCMVAP-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.16
Rot. Bonds1

About 4,4-dimethyl-2-phenylcyclopentan-1-one

4,4-dimethyl-2-phenylcyclopentan-1-one (PubChem CID 11106110) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-2-phenylcyclopentan-1-one
PubChem CID11106110
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4,4-dimethyl-2-phenylcyclopentan-1-one
SMILESCC1(C)CC(=O)C(c2ccccc2)C1
InChIInChI=1S/C13H16O/c1-13(2)8-11(12(14)9-13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyFHNAXSXBVCMVAP-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53487558
(4S,4aS,8aR)-7,7-dimethyl-4-phenyl-2-sulfanylidene-3,4,4a,6,8,8a-hexahydro-1H-quinazolin-5-one
CID 129413196
3,3-dimethyl-13-phenyl-4,4a,13,13a-tetrahydro-2H-indazolo[2,1-b]phthalazine-1,6,11-trione
CID 102491259
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
[(1S,2S,3R,4R)-5,5-dimethyl-2,3,4-triphenylcyclohexyl]benzene
CID 124794227
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358
trans-(2R,4S)-4-ethyl-2-phenylcyclopentan-1-one
CID 134902370
trans-(2S,5R)-2,5-diphenylcyclohexan-1-one
CID 134846189
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CID 92982423
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenylcyclopentan-1-one?
The IUPAC name of 4,4-dimethyl-2-phenylcyclopentan-1-one (CID 11106110) is 4,4-dimethyl-2-phenylcyclopentan-1-one.
What is the SMILES notation for 4,4-dimethyl-2-phenylcyclopentan-1-one?
The canonical SMILES for 4,4-dimethyl-2-phenylcyclopentan-1-one is CC1(C)CC(=O)C(c2ccccc2)C1.
What is the InChIKey of 4,4-dimethyl-2-phenylcyclopentan-1-one?
The InChIKey is FHNAXSXBVCMVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-13(2)8-11(12(14)9-13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenylcyclopentan-1-one?
4,4-dimethyl-2-phenylcyclopentan-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenylcyclopentan-1-one is sourced from PubChem (CID 11106110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).