methyl 2,4-dibromo-3,5-dimethoxybenzoate

C10H10Br2O4 — CID 165356918

IUPACmethyl 2,4-dibromo-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(Br)c(OC)c1Br
InChIInChI=1S/C10H10Br2O4/c1-14-6-4-5(10(13)16-3)7(11)9(15-2)8(6)12/h4H,1-3H3
InChIKeyPASLBYZEGLZZIN-UHFFFAOYSA-N
MW353.99 g/mol
LogP3.02
Rot. Bonds3

About methyl 2,4-dibromo-3,5-dimethoxybenzoate

methyl 2,4-dibromo-3,5-dimethoxybenzoate (PubChem CID 165356918) has the molecular formula C10H10Br2O4 and a molecular weight of 353.99 g/mol. Its IUPAC name is methyl 2,4-dibromo-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2,4-dibromo-3,5-dimethoxybenzoate
PubChem CID165356918
Molecular FormulaC10H10Br2O4
Molecular Weight353.99 g/mol
Exact Mass351.89
IUPAC Namemethyl 2,4-dibromo-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(Br)c(OC)c1Br
InChIInChI=1S/C10H10Br2O4/c1-14-6-4-5(10(13)16-3)7(11)9(15-2)8(6)12/h4H,1-3H3
InChIKeyPASLBYZEGLZZIN-UHFFFAOYSA-N
XLogP3.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2,4-dibromo-3,5-dimethoxybenzoate 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

methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
methyl 2-bromo-4-methoxy-3,5-dimethylbenzoate
CID 57495652
methyl 2-bromo-3,4,5-tributoxybenzoate
CID 89142836
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
methyl 4-bromo-5-[(2-bromo-3,4-dimethoxy-5-methoxycarbonylphenyl)methyl]-2,3-dimethoxybenzoate
CID 132564114
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
methyl 4-bromo-6,7-dimethoxyquinoline-3-carboxylate
CID 102614409
methyl 4,5-diiodo-2-methoxybenzoate
CID 130877100
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 5-bromo-3-methoxy-2-methylbenzoate
CID 70807623
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dibromo-3,5-dimethoxybenzoate?
The IUPAC name of methyl 2,4-dibromo-3,5-dimethoxybenzoate (CID 165356918) is methyl 2,4-dibromo-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2,4-dibromo-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 2,4-dibromo-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(Br)c(OC)c1Br.
What is the InChIKey of methyl 2,4-dibromo-3,5-dimethoxybenzoate?
The InChIKey is PASLBYZEGLZZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O4/c1-14-6-4-5(10(13)16-3)7(11)9(15-2)8(6)12/h4H,1-3H3.
What are the key properties of methyl 2,4-dibromo-3,5-dimethoxybenzoate?
methyl 2,4-dibromo-3,5-dimethoxybenzoate has a molecular weight of 353.99 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dibromo-3,5-dimethoxybenzoate is sourced from PubChem (CID 165356918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).