3-(2,5-dihydroxyphenyl)phthalic acid

C14H10O6 — CID 151355033

IUPAC3-(2,5-dihydroxyphenyl)phthalic acid
SMILESO=C(O)c1cccc(-c2cc(O)ccc2O)c1C(=O)O
InChIInChI=1S/C14H10O6/c15-7-4-5-11(16)10(6-7)8-2-1-3-9(13(17)18)12(8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeyONHMQFZNESNFSB-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.16
Rot. Bonds3

About 3-(2,5-dihydroxyphenyl)phthalic acid

3-(2,5-dihydroxyphenyl)phthalic acid (PubChem CID 151355033) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-(2,5-dihydroxyphenyl)phthalic acid.

Molecular Properties

Compound Name3-(2,5-dihydroxyphenyl)phthalic acid
PubChem CID151355033
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name3-(2,5-dihydroxyphenyl)phthalic acid
SMILESO=C(O)c1cccc(-c2cc(O)ccc2O)c1C(=O)O
InChIInChI=1S/C14H10O6/c15-7-4-5-11(16)10(6-7)8-2-1-3-9(13(17)18)12(8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeyONHMQFZNESNFSB-UHFFFAOYSA-N
XLogP2.16
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)phthalic acid
CID 45486596
2-(2,3-dihydroxyphenyl)-4-hydroxybenzoic acid
CID 141273895
2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
CID 146356534
3-phenylphthalic acid;dihydrobromide
CID 67683459
anthracene;3-phenylphthalic acid
CID 161382372
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
potassium;benzene-1,2,3-tricarboxylic acid;hydride
CID 174768168
barium(2+);benzene-1,2,3-tricarboxylic acid;hydride
CID 174613618
2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
3-(4-aminophenyl)phthalic acid
CID 150193527
2,4-dihydroxybenzoic acid
CID 1491

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxyphenyl)phthalic acid?
The IUPAC name of 3-(2,5-dihydroxyphenyl)phthalic acid (CID 151355033) is 3-(2,5-dihydroxyphenyl)phthalic acid.
What is the SMILES notation for 3-(2,5-dihydroxyphenyl)phthalic acid?
The canonical SMILES for 3-(2,5-dihydroxyphenyl)phthalic acid is O=C(O)c1cccc(-c2cc(O)ccc2O)c1C(=O)O.
What is the InChIKey of 3-(2,5-dihydroxyphenyl)phthalic acid?
The InChIKey is ONHMQFZNESNFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-7-4-5-11(16)10(6-7)8-2-1-3-9(13(17)18)12(8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20).
What are the key properties of 3-(2,5-dihydroxyphenyl)phthalic acid?
3-(2,5-dihydroxyphenyl)phthalic acid has a molecular weight of 274.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxyphenyl)phthalic acid is sourced from PubChem (CID 151355033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).