dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate

C17H13BrO6 — CID 142741692

IUPACdimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(C(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C17H13BrO6/c1-23-16(21)10-5-9(6-11(7-10)17(22)24-2)15(20)13-8-12(18)3-4-14(13)19/h3-8,19H,1-2H3
InChIKeyYENBYBLWYYXBHZ-UHFFFAOYSA-N
MW393.19 g/mol
LogP2.96
Rot. Bonds4

About dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate

dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate (PubChem CID 142741692) has the molecular formula C17H13BrO6 and a molecular weight of 393.19 g/mol. Its IUPAC name is dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate
PubChem CID142741692
Molecular FormulaC17H13BrO6
Molecular Weight393.19 g/mol
Exact Mass391.99
IUPAC Namedimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)cc(C(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C17H13BrO6/c1-23-16(21)10-5-9(6-11(7-10)17(22)24-2)15(20)13-8-12(18)3-4-14(13)19/h3-8,19H,1-2H3
InChIKeyYENBYBLWYYXBHZ-UHFFFAOYSA-N
XLogP2.96
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate 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

ethyl 5-(5-bromo-2-hydroxybenzoyl)pyridine-3-carboxylate
CID 139223715
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
methyl 4-(5-bromo-2-hydroxyphenyl)-3-fluorobenzoate
CID 156807219
5-bromo-2-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91877531
(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475
(3-methylbenzoyl) 5-bromo-2-hydroxybenzoate
CID 88725286
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
(4-methoxycarbonylphenyl) 5-bromo-2-chlorobenzoate
CID 7956906

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate (CID 142741692) is dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate is COC(=O)c1cc(C(=O)OC)cc(C(=O)c2cc(Br)ccc2O)c1.
What is the InChIKey of dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate?
The InChIKey is YENBYBLWYYXBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO6/c1-23-16(21)10-5-9(6-11(7-10)17(22)24-2)15(20)13-8-12(18)3-4-14(13)19/h3-8,19H,1-2H3.
What are the key properties of dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate?
dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate has a molecular weight of 393.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate is sourced from PubChem (CID 142741692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).