2-(2-oxocyclohexyl)-2-phenylacetic acid

C14H16O3 — CID 13284199

IUPAC2-(2-oxocyclohexyl)-2-phenylacetic acid
SMILESO=C1CCCCC1C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H16O3/c15-12-9-5-4-8-11(12)13(14(16)17)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2,(H,16,17)
InChIKeyFSKBCLJJWROYFV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-oxocyclohexyl)-2-phenylacetic acid

2-(2-oxocyclohexyl)-2-phenylacetic acid (PubChem CID 13284199) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-oxocyclohexyl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-oxocyclohexyl)-2-phenylacetic acid
PubChem CID13284199
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(2-oxocyclohexyl)-2-phenylacetic acid
SMILESO=C1CCCCC1C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H16O3/c15-12-9-5-4-8-11(12)13(14(16)17)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2,(H,16,17)
InChIKeyFSKBCLJJWROYFV-UHFFFAOYSA-N
XLogP2.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
(3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenylpropanoic acid
CID 7056707
(2S)-2-[(R)-nitro(phenyl)methyl]cyclohexan-1-one
CID 102034821
(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
CID 948246
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
2-[(2-oxocycloheptyl)-phenylmethyl]propanedinitrile
CID 122372610
2-benzoylcyclotridecan-1-one
CID 101422484
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
CID 101013744
(2R)-2-[(R)-(4-chloroanilino)-phenylmethyl]cyclohexan-1-one
CID 851711
3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one
CID 14508272

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxocyclohexyl)-2-phenylacetic acid?
The IUPAC name of 2-(2-oxocyclohexyl)-2-phenylacetic acid (CID 13284199) is 2-(2-oxocyclohexyl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-oxocyclohexyl)-2-phenylacetic acid?
The canonical SMILES for 2-(2-oxocyclohexyl)-2-phenylacetic acid is O=C1CCCCC1C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-oxocyclohexyl)-2-phenylacetic acid?
The InChIKey is FSKBCLJJWROYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-12-9-5-4-8-11(12)13(14(16)17)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2,(H,16,17).
What are the key properties of 2-(2-oxocyclohexyl)-2-phenylacetic acid?
2-(2-oxocyclohexyl)-2-phenylacetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxocyclohexyl)-2-phenylacetic acid is sourced from PubChem (CID 13284199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).