3-(4-hydroxyphenyl)phthalic acid

C14H10O5 — CID 45486596

IUPAC3-(4-hydroxyphenyl)phthalic acid
SMILESO=C(O)c1cccc(-c2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C14H10O5/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7,15H,(H,16,17)(H,18,19)
InChIKeyYBOMNBAPMQXIHR-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.46
Rot. Bonds3

About 3-(4-hydroxyphenyl)phthalic acid

3-(4-hydroxyphenyl)phthalic acid (PubChem CID 45486596) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)phthalic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)phthalic acid
PubChem CID45486596
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name3-(4-hydroxyphenyl)phthalic acid
SMILESO=C(O)c1cccc(-c2ccc(O)cc2)c1C(=O)O
InChIInChI=1S/C14H10O5/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7,15H,(H,16,17)(H,18,19)
InChIKeyYBOMNBAPMQXIHR-UHFFFAOYSA-N
XLogP2.46
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxyphenyl)phthalic 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 3-(4-hydroxyphenyl)phthalic acid?
The IUPAC name of 3-(4-hydroxyphenyl)phthalic acid (CID 45486596) is 3-(4-hydroxyphenyl)phthalic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)phthalic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)phthalic acid is O=C(O)c1cccc(-c2ccc(O)cc2)c1C(=O)O.
What is the InChIKey of 3-(4-hydroxyphenyl)phthalic acid?
The InChIKey is YBOMNBAPMQXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c15-9-6-4-8(5-7-9)10-2-1-3-11(13(16)17)12(10)14(18)19/h1-7,15H,(H,16,17)(H,18,19).
What are the key properties of 3-(4-hydroxyphenyl)phthalic acid?
3-(4-hydroxyphenyl)phthalic acid has a molecular weight of 258.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)phthalic acid is sourced from PubChem (CID 45486596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).