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

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Related Compounds

methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 170045127
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
dimethyl 5-bromo-4-chlorobenzene-1,3-dicarboxylate
CID 15839798
1-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83903503
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CID 26369957
methyl 6-acetamido-7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate
CID 19853900
methyl 4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylate
CID 116986374
methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 10681590
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955
methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate
CID 166155868
methyl (4S)-4-amino-6-chloro-3,4-dihydro-2H-chromene-8-carboxylate
CID 131428420

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).