1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid

C13H12O4 — CID 174759391

IUPAC1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(O)CC(O)=CC=C1c1ccccc1
InChIInChI=1S/C13H12O4/c14-10-6-7-11(9-4-2-1-3-5-9)13(17,8-10)12(15)16/h1-7,14,17H,8H2,(H,15,16)
InChIKeyBNSLVSDMUOLUIE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.73
Rot. Bonds2

About 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid

1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 174759391) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
PubChem CID174759391
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(O)CC(O)=CC=C1c1ccccc1
InChIInChI=1S/C13H12O4/c14-10-6-7-11(9-4-2-1-3-5-9)13(17,8-10)12(15)16/h1-7,14,17H,8H2,(H,15,16)
InChIKeyBNSLVSDMUOLUIE-UHFFFAOYSA-N
XLogP1.73
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid (CID 174759391) is 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1(O)CC(O)=CC=C1c1ccccc1.
What is the InChIKey of 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is BNSLVSDMUOLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-10-6-7-11(9-4-2-1-3-5-9)13(17,8-10)12(15)16/h1-7,14,17H,8H2,(H,15,16).
What are the key properties of 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid?
1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 174759391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).