(2-hydroxyphenyl) 3-chlorobenzoate

C13H9ClO3 — CID 4525221

IUPAC(2-hydroxyphenyl) 3-chlorobenzoate
SMILESO=C(Oc1ccccc1O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClO3/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8,15H
InChIKeyIBZMOJSHADBMDD-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.26
Rot. Bonds2

About (2-hydroxyphenyl) 3-chlorobenzoate

(2-hydroxyphenyl) 3-chlorobenzoate (PubChem CID 4525221) has the molecular formula C13H9ClO3 and a molecular weight of 248.67 g/mol. Its IUPAC name is (2-hydroxyphenyl) 3-chlorobenzoate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 3-chlorobenzoate
PubChem CID4525221
Molecular FormulaC13H9ClO3
Molecular Weight248.67 g/mol
Exact Mass248.02
IUPAC Name(2-hydroxyphenyl) 3-chlorobenzoate
SMILESO=C(Oc1ccccc1O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClO3/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8,15H
InChIKeyIBZMOJSHADBMDD-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
[2-(2-oxopropyl)phenyl] 3-chlorobenzoate
CID 687479
(2-nitrophenyl) 3-chlorobenzoate
CID 836200
(2-acetamidophenyl) 3-chlorobenzoate
CID 23011243
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
[8,9-bis[(3-chlorobenzoyl)oxy]anthracen-1-yl] 3-chlorobenzoate
CID 21455213
azane;3-chlorobenzenecarboperoxoic acid
CID 86637115
3-(3-chlorobenzoyl)oxynaphthalene-2-carboxylic acid
CID 2818675
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
(4-phenylphenyl) 3-chlorobenzoate
CID 7313882
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 3-chlorobenzoate?
The IUPAC name of (2-hydroxyphenyl) 3-chlorobenzoate (CID 4525221) is (2-hydroxyphenyl) 3-chlorobenzoate.
What is the SMILES notation for (2-hydroxyphenyl) 3-chlorobenzoate?
The canonical SMILES for (2-hydroxyphenyl) 3-chlorobenzoate is O=C(Oc1ccccc1O)c1cccc(Cl)c1.
What is the InChIKey of (2-hydroxyphenyl) 3-chlorobenzoate?
The InChIKey is IBZMOJSHADBMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8,15H.
What are the key properties of (2-hydroxyphenyl) 3-chlorobenzoate?
(2-hydroxyphenyl) 3-chlorobenzoate has a molecular weight of 248.67 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 3-chlorobenzoate is sourced from PubChem (CID 4525221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).