(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate

C14H10BrClO3 — CID 883580

IUPAC(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
SMILESO=C(OCc1ccc(Br)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10BrClO3/c15-10-3-1-9(2-4-10)8-19-14(18)12-7-11(16)5-6-13(12)17/h1-7,17H,8H2
InChIKeyWGDLFZDIFHKOTM-UHFFFAOYSA-N
MW341.59 g/mol
LogP4.17
Rot. Bonds3

About (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate

(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate (PubChem CID 883580) has the molecular formula C14H10BrClO3 and a molecular weight of 341.59 g/mol. Its IUPAC name is (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
PubChem CID883580
Molecular FormulaC14H10BrClO3
Molecular Weight341.59 g/mol
Exact Mass339.95
IUPAC Name(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate
SMILESO=C(OCc1ccc(Br)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H10BrClO3/c15-10-3-1-9(2-4-10)8-19-14(18)12-7-11(16)5-6-13(12)17/h1-7,17H,8H2
InChIKeyWGDLFZDIFHKOTM-UHFFFAOYSA-N
XLogP4.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)methyl 2,4-dichlorobenzoate
CID 1218346
(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 1252914
[4-(4-nitrophenoxy)phenyl]methyl 5-chloro-2-hydroxybenzoate
CID 17369865
(4-chlorophenyl)methyl 2-hydroxy-5-nitrobenzoate
CID 3482319
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
CID 7786444
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
[4-(benzenesulfonyl)phenyl]methyl 5-bromo-2-hydroxybenzoate
CID 1307574
(4-chlorophenyl)methyl 2-acetamido-5-bromobenzoate
CID 19591123
propyl 5-chloro-2-hydroxybenzoate
CID 43389601
(4-propan-2-ylphenyl)methyl 2-amino-5-chlorobenzoate
CID 60644479
(4-chlorophenyl)methyl 2-bromobenzoate
CID 962049

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate?
The IUPAC name of (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate (CID 883580) is (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate?
The canonical SMILES for (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate is O=C(OCc1ccc(Br)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate?
The InChIKey is WGDLFZDIFHKOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO3/c15-10-3-1-9(2-4-10)8-19-14(18)12-7-11(16)5-6-13(12)17/h1-7,17H,8H2.
What are the key properties of (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate?
(4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate has a molecular weight of 341.59 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 883580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).