3-hydroxy-2-phenoxybenzoic acid

C13H10O4 — CID 53406644

IUPAC3-hydroxy-2-phenoxybenzoic acid
SMILESO=C(O)c1cccc(O)c1Oc1ccccc1
InChIInChI=1S/C13H10O4/c14-11-8-4-7-10(13(15)16)12(11)17-9-5-2-1-3-6-9/h1-8,14H,(H,15,16)
InChIKeyYMRNNXFGMKFZPK-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.88
Rot. Bonds3

About 3-hydroxy-2-phenoxybenzoic acid

3-hydroxy-2-phenoxybenzoic acid (PubChem CID 53406644) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-hydroxy-2-phenoxybenzoic acid.

Molecular Properties

Compound Name3-hydroxy-2-phenoxybenzoic acid
PubChem CID53406644
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name3-hydroxy-2-phenoxybenzoic acid
SMILESO=C(O)c1cccc(O)c1Oc1ccccc1
InChIInChI=1S/C13H10O4/c14-11-8-4-7-10(13(15)16)12(11)17-9-5-2-1-3-6-9/h1-8,14H,(H,15,16)
InChIKeyYMRNNXFGMKFZPK-UHFFFAOYSA-N
XLogP2.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-3-phenoxycarbonylbenzoic acid
CID 141175877
4-(2-benzoyl-6-hydroxyphenoxy)benzoic acid
CID 141069267
2,5-dihydroxy-3,4-diphenoxybenzoic acid
CID 175281824
2-phenoxy-3-prop-1-enylbenzoic acid
CID 174630451
2-phenoxy-3-propoxybenzoic acid
CID 67826110
3-(2-oxoethoxy)-2-phenoxybenzoic acid
CID 88992897
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3-ethyl-2-phenoxyphenol
CID 66865882
benzene-1,2-diol;phthalic acid
CID 160861167
phenyl 5-hydroxynaphthalene-1-carboxylate
CID 19766520
2,3-diphenoxybenzoic acid;heptane-3,5-diol
CID 175439246
3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenoxybenzoic acid?
The IUPAC name of 3-hydroxy-2-phenoxybenzoic acid (CID 53406644) is 3-hydroxy-2-phenoxybenzoic acid.
What is the SMILES notation for 3-hydroxy-2-phenoxybenzoic acid?
The canonical SMILES for 3-hydroxy-2-phenoxybenzoic acid is O=C(O)c1cccc(O)c1Oc1ccccc1.
What is the InChIKey of 3-hydroxy-2-phenoxybenzoic acid?
The InChIKey is YMRNNXFGMKFZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c14-11-8-4-7-10(13(15)16)12(11)17-9-5-2-1-3-6-9/h1-8,14H,(H,15,16).
What are the key properties of 3-hydroxy-2-phenoxybenzoic acid?
3-hydroxy-2-phenoxybenzoic acid has a molecular weight of 230.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenoxybenzoic acid is sourced from PubChem (CID 53406644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).