propan-2-yl 4-chloro-1-benzofuran-2-carboxylate

C12H11ClO3 — CID 135395825

IUPACpropan-2-yl 4-chloro-1-benzofuran-2-carboxylate
SMILESCC(C)OC(=O)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C12H11ClO3/c1-7(2)15-12(14)11-6-8-9(13)4-3-5-10(8)16-11/h3-7H,1-2H3
InChIKeyBJZIHFXGDFHAGH-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.65
Rot. Bonds2

About propan-2-yl 4-chloro-1-benzofuran-2-carboxylate

propan-2-yl 4-chloro-1-benzofuran-2-carboxylate (PubChem CID 135395825) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is propan-2-yl 4-chloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-chloro-1-benzofuran-2-carboxylate
PubChem CID135395825
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Namepropan-2-yl 4-chloro-1-benzofuran-2-carboxylate
SMILESCC(C)OC(=O)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C12H11ClO3/c1-7(2)15-12(14)11-6-8-9(13)4-3-5-10(8)16-11/h3-7H,1-2H3
InChIKeyBJZIHFXGDFHAGH-UHFFFAOYSA-N
XLogP3.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
CID 114321295
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 114321321
propan-2-yl 2,6-dichlorobenzoate
CID 22149751
(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
CID 114321311
2-(4-chloro-1-benzofuran-2-yl)propan-1-amine
CID 117119913
(4-chloro-1-benzofuran-2-yl)-thiophen-3-ylmethanone
CID 114321340
3-(4-chloro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117119938
methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
propan-2-yl 4-[[2-fluoro-5-(3-fluorophenyl)benzoyl]amino]-1-benzofuran-2-carboxylate
CID 126609853
4-propan-2-yloxy-1-benzofuran-2-carboxylic acid
CID 68711544

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-chloro-1-benzofuran-2-carboxylate?
The IUPAC name of propan-2-yl 4-chloro-1-benzofuran-2-carboxylate (CID 135395825) is propan-2-yl 4-chloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-chloro-1-benzofuran-2-carboxylate?
The canonical SMILES for propan-2-yl 4-chloro-1-benzofuran-2-carboxylate is CC(C)OC(=O)c1cc2c(Cl)cccc2o1.
What is the InChIKey of propan-2-yl 4-chloro-1-benzofuran-2-carboxylate?
The InChIKey is BJZIHFXGDFHAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-7(2)15-12(14)11-6-8-9(13)4-3-5-10(8)16-11/h3-7H,1-2H3.
What are the key properties of propan-2-yl 4-chloro-1-benzofuran-2-carboxylate?
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-chloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 135395825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).