2,5-dihydroxy-4-phenylbenzoic acid

C13H10O4 — CID 154086756

IUPAC2,5-dihydroxy-4-phenylbenzoic acid
SMILESO=C(O)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C13H10O4/c14-11-7-10(13(16)17)12(15)6-9(11)8-4-2-1-3-5-8/h1-7,14-15H,(H,16,17)
InChIKeySMQBAYRJIMEMIB-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.46
Rot. Bonds2

About 2,5-dihydroxy-4-phenylbenzoic acid

2,5-dihydroxy-4-phenylbenzoic acid (PubChem CID 154086756) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2,5-dihydroxy-4-phenylbenzoic acid.

Molecular Properties

Compound Name2,5-dihydroxy-4-phenylbenzoic acid
PubChem CID154086756
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name2,5-dihydroxy-4-phenylbenzoic acid
SMILESO=C(O)c1cc(O)c(-c2ccccc2)cc1O
InChIInChI=1S/C13H10O4/c14-11-7-10(13(16)17)12(15)6-9(11)8-4-2-1-3-5-8/h1-7,14-15H,(H,16,17)
InChIKeySMQBAYRJIMEMIB-UHFFFAOYSA-N
XLogP2.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,5-dihydroxy-4-phenylbenzoate
CID 166444407
2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
CID 175158556
CID 172784976
CID 172784976
3-hydroxytriphenylene-2-carboxylic acid
CID 18963666
CID 69256301
CID 69256301
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
3,6-dihydroxy-4-phenylphthalic acid
CID 175175774
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
acetylene;2-phenylbenzoic acid
CID 67726329
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
benzene-1,2-diol;phthalic acid
CID 160861167

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-4-phenylbenzoic acid?
The IUPAC name of 2,5-dihydroxy-4-phenylbenzoic acid (CID 154086756) is 2,5-dihydroxy-4-phenylbenzoic acid.
What is the SMILES notation for 2,5-dihydroxy-4-phenylbenzoic acid?
The canonical SMILES for 2,5-dihydroxy-4-phenylbenzoic acid is O=C(O)c1cc(O)c(-c2ccccc2)cc1O.
What is the InChIKey of 2,5-dihydroxy-4-phenylbenzoic acid?
The InChIKey is SMQBAYRJIMEMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-11-7-10(13(16)17)12(15)6-9(11)8-4-2-1-3-5-8/h1-7,14-15H,(H,16,17).
What are the key properties of 2,5-dihydroxy-4-phenylbenzoic acid?
2,5-dihydroxy-4-phenylbenzoic acid has a molecular weight of 230.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-4-phenylbenzoic acid is sourced from PubChem (CID 154086756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).