2-(2-oxo-3-phenylcyclohexyl)acetic acid

C14H16O3 — CID 653292

IUPAC2-(2-oxo-3-phenylcyclohexyl)acetic acid
SMILESO=C(O)CC1CCCC(c2ccccc2)C1=O
InChIInChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(14(11)17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)
InChIKeyWTBDYAFOVHATCN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-oxo-3-phenylcyclohexyl)acetic acid

2-(2-oxo-3-phenylcyclohexyl)acetic acid (PubChem CID 653292) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-oxo-3-phenylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-3-phenylcyclohexyl)acetic acid
PubChem CID653292
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(2-oxo-3-phenylcyclohexyl)acetic acid
SMILESO=C(O)CC1CCCC(c2ccccc2)C1=O
InChIInChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(14(11)17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16)
InChIKeyWTBDYAFOVHATCN-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-phenylcyclohexyl)acetic acid?
The IUPAC name of 2-(2-oxo-3-phenylcyclohexyl)acetic acid (CID 653292) is 2-(2-oxo-3-phenylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(2-oxo-3-phenylcyclohexyl)acetic acid?
The canonical SMILES for 2-(2-oxo-3-phenylcyclohexyl)acetic acid is O=C(O)CC1CCCC(c2ccccc2)C1=O.
What is the InChIKey of 2-(2-oxo-3-phenylcyclohexyl)acetic acid?
The InChIKey is WTBDYAFOVHATCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(16)9-11-7-4-8-12(14(11)17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,16).
What are the key properties of 2-(2-oxo-3-phenylcyclohexyl)acetic acid?
2-(2-oxo-3-phenylcyclohexyl)acetic 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-oxo-3-phenylcyclohexyl)acetic acid is sourced from PubChem (CID 653292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).