(3-hydroxyphenyl) benzoate

C13H10O3 — CID 8690

IUPAC(3-hydroxyphenyl) benzoate
SMILESO=C(Oc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
InChIKeyGDESWOTWNNGOMW-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.61
Rot. Bonds2

About (3-hydroxyphenyl) benzoate

(3-hydroxyphenyl) benzoate (PubChem CID 8690) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3-hydroxyphenyl) benzoate.

Molecular Properties

Compound Name(3-hydroxyphenyl) benzoate
PubChem CID8690
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name(3-hydroxyphenyl) benzoate
SMILESO=C(Oc1cccc(O)c1)c1ccccc1
InChIInChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H
InChIKeyGDESWOTWNNGOMW-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) benzoate?
The IUPAC name of (3-hydroxyphenyl) benzoate (CID 8690) is (3-hydroxyphenyl) benzoate.
What is the SMILES notation for (3-hydroxyphenyl) benzoate?
The canonical SMILES for (3-hydroxyphenyl) benzoate is O=C(Oc1cccc(O)c1)c1ccccc1.
What is the InChIKey of (3-hydroxyphenyl) benzoate?
The InChIKey is GDESWOTWNNGOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-9,14H.
What are the key properties of (3-hydroxyphenyl) benzoate?
(3-hydroxyphenyl) benzoate has a molecular weight of 214.22 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) benzoate is sourced from PubChem (CID 8690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).