2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid

C14H16O3 — CID 15515052

IUPAC2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)(C1=CCCCC1)c1ccccc1
InChIInChI=1S/C14H16O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-9,17H,2,5-6,10H2,(H,15,16)
InChIKeyKFWYLIODEGTZGK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds3

About 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid

2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid (PubChem CID 15515052) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid
PubChem CID15515052
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)(C1=CCCCC1)c1ccccc1
InChIInChI=1S/C14H16O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-9,17H,2,5-6,10H2,(H,15,16)
InChIKeyKFWYLIODEGTZGK-UHFFFAOYSA-N
XLogP2.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid?
The IUPAC name of 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid (CID 15515052) is 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid?
The canonical SMILES for 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid is O=C(O)C(O)(C1=CCCCC1)c1ccccc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid?
The InChIKey is KFWYLIODEGTZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-9,17H,2,5-6,10H2,(H,15,16).
What are the key properties of 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid?
2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 15515052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).