3,5-dihydroxy-4-phenylbenzoic acid

C13H10O4 — CID 45116831

IUPAC3,5-dihydroxy-4-phenylbenzoic acid
SMILESO=C(O)c1cc(O)c(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H10O4/c14-10-6-9(13(16)17)7-11(15)12(10)8-4-2-1-3-5-8/h1-7,14-15H,(H,16,17)
InChIKeySFIQDSGXIPYNTC-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.46
Rot. Bonds2

About 3,5-dihydroxy-4-phenylbenzoic acid

3,5-dihydroxy-4-phenylbenzoic acid (PubChem CID 45116831) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3,5-dihydroxy-4-phenylbenzoic acid.

Molecular Properties

Compound Name3,5-dihydroxy-4-phenylbenzoic acid
PubChem CID45116831
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name3,5-dihydroxy-4-phenylbenzoic acid
SMILESO=C(O)c1cc(O)c(-c2ccccc2)c(O)c1
InChIInChI=1S/C13H10O4/c14-10-6-9(13(16)17)7-11(15)12(10)8-4-2-1-3-5-8/h1-7,14-15H,(H,16,17)
InChIKeySFIQDSGXIPYNTC-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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-4-phenylbenzoic acid?
The IUPAC name of 3,5-dihydroxy-4-phenylbenzoic acid (CID 45116831) is 3,5-dihydroxy-4-phenylbenzoic acid.
What is the SMILES notation for 3,5-dihydroxy-4-phenylbenzoic acid?
The canonical SMILES for 3,5-dihydroxy-4-phenylbenzoic acid is O=C(O)c1cc(O)c(-c2ccccc2)c(O)c1.
What is the InChIKey of 3,5-dihydroxy-4-phenylbenzoic acid?
The InChIKey is SFIQDSGXIPYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-10-6-9(13(16)17)7-11(15)12(10)8-4-2-1-3-5-8/h1-7,14-15H,(H,16,17).
What are the key properties of 3,5-dihydroxy-4-phenylbenzoic acid?
3,5-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 3,5-dihydroxy-4-phenylbenzoic acid is sourced from PubChem (CID 45116831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).