[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

C16H13BrO5 — CID 7365642

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H13BrO5/c1-21-12-5-2-10(3-6-12)15(19)9-22-16(20)13-8-11(17)4-7-14(13)18/h2-8,18H,9H2,1H3
InChIKeyKZKNPFZNJAPRME-UHFFFAOYSA-N
MW365.18 g/mol
LogP3.20
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (PubChem CID 7365642) has the molecular formula C16H13BrO5 and a molecular weight of 365.18 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
PubChem CID7365642
Molecular FormulaC16H13BrO5
Molecular Weight365.18 g/mol
Exact Mass363.99
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
SMILESCOc1ccc(C(=O)COC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H13BrO5/c1-21-12-5-2-10(3-6-12)15(19)9-22-16(20)13-8-11(17)4-7-14(13)18/h2-8,18H,9H2,1H3
InChIKeyKZKNPFZNJAPRME-UHFFFAOYSA-N
XLogP3.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7442136
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803581
[2-(4-tert-butylphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7786276
[2-(4-nitrophenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 1421555
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525432
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525429
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 5-bromo-2-hydroxybenzoate
CID 7786303
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 32745372
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
[2-(4-fluorophenyl)-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 55339020
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2-methoxyethylamino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365593

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate (CID 7365642) is [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is COc1ccc(C(=O)COC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
The InChIKey is KZKNPFZNJAPRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO5/c1-21-12-5-2-10(3-6-12)15(19)9-22-16(20)13-8-11(17)4-7-14(13)18/h2-8,18H,9H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate?
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate has a molecular weight of 365.18 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 7365642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).