2-methyl-3-phenylcyclopentan-1-one

C12H14O — CID 12573116

IUPAC2-methyl-3-phenylcyclopentan-1-one
SMILESCC1C(=O)CCC1c1ccccc1
InChIInChI=1S/C12H14O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyUXTDNGANGCBAHL-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.77
Rot. Bonds1

About 2-methyl-3-phenylcyclopentan-1-one

2-methyl-3-phenylcyclopentan-1-one (PubChem CID 12573116) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-3-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-phenylcyclopentan-1-one
PubChem CID12573116
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-methyl-3-phenylcyclopentan-1-one
SMILESCC1C(=O)CCC1c1ccccc1
InChIInChI=1S/C12H14O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyUXTDNGANGCBAHL-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-2-methylcyclopentan-1-one
CID 64910252
3-(3-cyclopropyloxyphenyl)-2-methylcyclopentan-1-one
CID 114522911
trans-(4R,5R)-4,5-diphenylcycloheptan-1-one
CID 58293688
(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
cis-(4S,5R)-4-methyl-5-phenylcyclohexane-1,3-dione
CID 59919081
3-(benzenesulfinyl)-2-methylcyclopentan-1-one
CID 64909171
2-(benzenesulfonyl)-3-phenylcyclopentan-1-one
CID 73191675
(2R,3R)-3-methyl-2-phenylpiperidin-1-ium-4-one
CID 6942386
3-(2-fluoro-3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 82811035
(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 170728886
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylcyclopentan-1-one?
The IUPAC name of 2-methyl-3-phenylcyclopentan-1-one (CID 12573116) is 2-methyl-3-phenylcyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-phenylcyclopentan-1-one?
The canonical SMILES for 2-methyl-3-phenylcyclopentan-1-one is CC1C(=O)CCC1c1ccccc1.
What is the InChIKey of 2-methyl-3-phenylcyclopentan-1-one?
The InChIKey is UXTDNGANGCBAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 2-methyl-3-phenylcyclopentan-1-one?
2-methyl-3-phenylcyclopentan-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylcyclopentan-1-one is sourced from PubChem (CID 12573116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).