(2,4-dihydroxyphenyl) 2-hydroxybenzoate

C13H10O5 — CID 69048208

IUPAC(2,4-dihydroxyphenyl) 2-hydroxybenzoate
SMILESO=C(Oc1ccc(O)cc1O)c1ccccc1O
InChIInChI=1S/C13H10O5/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7,14-16H
InChIKeyPYALPMUXKZRVIO-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.02
Rot. Bonds2

About (2,4-dihydroxyphenyl) 2-hydroxybenzoate

(2,4-dihydroxyphenyl) 2-hydroxybenzoate (PubChem CID 69048208) has the molecular formula C13H10O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl) 2-hydroxybenzoate
PubChem CID69048208
Molecular FormulaC13H10O5
Molecular Weight246.22 g/mol
Exact Mass246.05
IUPAC Name(2,4-dihydroxyphenyl) 2-hydroxybenzoate
SMILESO=C(Oc1ccc(O)cc1O)c1ccccc1O
InChIInChI=1S/C13H10O5/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7,14-16H
InChIKeyPYALPMUXKZRVIO-UHFFFAOYSA-N
XLogP2.02
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
2-(2,4-dihydroxybenzoyl)oxy-4-hydroxybenzoic acid
CID 54530363
sodium 2-(2-hydroxybenzoyl)oxybenzoate
CID 23662396
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 59101861
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
(3-hydroxyphenyl) benzoate;phenyl 2-hydroxybenzoate
CID 66771976
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid
CID 57113507
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
CID 129189954
(3,5-dichlorophenyl) 2-hydroxybenzoate
CID 157309463

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl) 2-hydroxybenzoate?
The IUPAC name of (2,4-dihydroxyphenyl) 2-hydroxybenzoate (CID 69048208) is (2,4-dihydroxyphenyl) 2-hydroxybenzoate.
What is the SMILES notation for (2,4-dihydroxyphenyl) 2-hydroxybenzoate?
The canonical SMILES for (2,4-dihydroxyphenyl) 2-hydroxybenzoate is O=C(Oc1ccc(O)cc1O)c1ccccc1O.
What is the InChIKey of (2,4-dihydroxyphenyl) 2-hydroxybenzoate?
The InChIKey is PYALPMUXKZRVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5/c14-8-5-6-12(11(16)7-8)18-13(17)9-3-1-2-4-10(9)15/h1-7,14-16H.
What are the key properties of (2,4-dihydroxyphenyl) 2-hydroxybenzoate?
(2,4-dihydroxyphenyl) 2-hydroxybenzoate has a molecular weight of 246.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl) 2-hydroxybenzoate is sourced from PubChem (CID 69048208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).