methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate

C10H8BrClO3 — CID 135377329

IUPACmethyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)c2c1OCC2
InChIInChI=1S/C10H8BrClO3/c1-14-10(13)6-4-7(11)8(12)5-2-3-15-9(5)6/h4H,2-3H2,1H3
InChIKeyLTVIEXYRLGPJLJ-UHFFFAOYSA-N
MW291.53 g/mol
LogP2.82
Rot. Bonds1

About methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate

methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate (PubChem CID 135377329) has the molecular formula C10H8BrClO3 and a molecular weight of 291.53 g/mol. Its IUPAC name is methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
PubChem CID135377329
Molecular FormulaC10H8BrClO3
Molecular Weight291.53 g/mol
Exact Mass289.93
IUPAC Namemethyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Br)c(Cl)c2c1OCC2
InChIInChI=1S/C10H8BrClO3/c1-14-10(13)6-4-7(11)8(12)5-2-3-15-9(5)6/h4H,2-3H2,1H3
InChIKeyLTVIEXYRLGPJLJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate (CID 135377329) is methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate is COC(=O)c1cc(Br)c(Cl)c2c1OCC2.
What is the InChIKey of methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate?
The InChIKey is LTVIEXYRLGPJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClO3/c1-14-10(13)6-4-7(11)8(12)5-2-3-15-9(5)6/h4H,2-3H2,1H3.
What are the key properties of methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate?
methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate has a molecular weight of 291.53 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate is sourced from PubChem (CID 135377329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).