2-(1-hydroxyethenyl)benzoic acid

C9H8O3 — CID 157143248

IUPAC2-(1-hydroxyethenyl)benzoic acid
SMILESC=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,10H,1H2,(H,11,12)
InChIKeyDJKLUGGAQRXDON-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.91
Rot. Bonds2

About 2-(1-hydroxyethenyl)benzoic acid

2-(1-hydroxyethenyl)benzoic acid (PubChem CID 157143248) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(1-hydroxyethenyl)benzoic acid.

Molecular Properties

Compound Name2-(1-hydroxyethenyl)benzoic acid
PubChem CID157143248
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name2-(1-hydroxyethenyl)benzoic acid
SMILESC=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,10H,1H2,(H,11,12)
InChIKeyDJKLUGGAQRXDON-UHFFFAOYSA-N
XLogP1.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethenyl)benzoic acid?
The IUPAC name of 2-(1-hydroxyethenyl)benzoic acid (CID 157143248) is 2-(1-hydroxyethenyl)benzoic acid.
What is the SMILES notation for 2-(1-hydroxyethenyl)benzoic acid?
The canonical SMILES for 2-(1-hydroxyethenyl)benzoic acid is C=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(1-hydroxyethenyl)benzoic acid?
The InChIKey is DJKLUGGAQRXDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5,10H,1H2,(H,11,12).
What are the key properties of 2-(1-hydroxyethenyl)benzoic acid?
2-(1-hydroxyethenyl)benzoic acid has a molecular weight of 164.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethenyl)benzoic acid is sourced from PubChem (CID 157143248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).