methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate

C16H11ClO3 — CID 172602986

IUPACmethyl 3-(5-chloro-1-benzofuran-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H11ClO3/c1-19-16(18)11-4-2-3-10(7-11)15-9-12-8-13(17)5-6-14(12)20-15/h2-9H,1H3
InChIKeyNSVBECIVNNORBH-UHFFFAOYSA-N
MW286.71 g/mol
LogP4.54
Rot. Bonds2

About methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate

methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate (PubChem CID 172602986) has the molecular formula C16H11ClO3 and a molecular weight of 286.71 g/mol. Its IUPAC name is methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-1-benzofuran-2-yl)benzoate
PubChem CID172602986
Molecular FormulaC16H11ClO3
Molecular Weight286.71 g/mol
Exact Mass286.04
IUPAC Namemethyl 3-(5-chloro-1-benzofuran-2-yl)benzoate
SMILESCOC(=O)c1cccc(-c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C16H11ClO3/c1-19-16(18)11-4-2-3-10(7-11)15-9-12-8-13(17)5-6-14(12)20-15/h2-9H,1H3
InChIKeyNSVBECIVNNORBH-UHFFFAOYSA-N
XLogP4.54
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate 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-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871
methyl 3-[5-(trifluoromethoxy)-1-benzofuran-2-yl]benzoate
CID 172603109
2-(3-bromophenyl)-5-chloro-1-benzofuran
CID 91689952
methyl 4-chloro-2-(5-chloro-1-benzofuran-2-yl)-1,3-thiazole-5-carboxylate
CID 114734205
1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
CID 114732079
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
methyl 3-[6-(2,4-dichlorophenoxy)-2-pyridinyl]benzoate
CID 66857367
methyl 2-methylsulfanyl-1-benzofuran-5-carboxylate
CID 168792495
methyl 3-[(6-chloro-2-oxochromene-3-carbonyl)amino]-4-methylbenzoate
CID 1246140
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
methyl 2-[[2-[2-[3-(1-benzofuran-2-yl)anilino]-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate
CID 66877661
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate?
The IUPAC name of methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate (CID 172602986) is methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate.
What is the SMILES notation for methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate?
The canonical SMILES for methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate is COC(=O)c1cccc(-c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate?
The InChIKey is NSVBECIVNNORBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO3/c1-19-16(18)11-4-2-3-10(7-11)15-9-12-8-13(17)5-6-14(12)20-15/h2-9H,1H3.
What are the key properties of methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate?
methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate has a molecular weight of 286.71 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate is sourced from PubChem (CID 172602986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).