propan-2-yl 7-chloro-1-benzofuran-2-carboxylate

C12H11ClO3 — CID 135394390

IUPACpropan-2-yl 7-chloro-1-benzofuran-2-carboxylate
SMILESCC(C)OC(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H11ClO3/c1-7(2)15-12(14)10-6-8-4-3-5-9(13)11(8)16-10/h3-7H,1-2H3
InChIKeyYVHZIQRSSNYQNP-UHFFFAOYSA-N
MW238.67 g/mol
LogP3.65
Rot. Bonds2

About propan-2-yl 7-chloro-1-benzofuran-2-carboxylate

propan-2-yl 7-chloro-1-benzofuran-2-carboxylate (PubChem CID 135394390) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is propan-2-yl 7-chloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 7-chloro-1-benzofuran-2-carboxylate
PubChem CID135394390
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Namepropan-2-yl 7-chloro-1-benzofuran-2-carboxylate
SMILESCC(C)OC(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H11ClO3/c1-7(2)15-12(14)10-6-8-4-3-5-9(13)11(8)16-10/h3-7H,1-2H3
InChIKeyYVHZIQRSSNYQNP-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 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
1-(7-chloro-1-benzofuran-2-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 114725597
2-amino-1-(7-chloro-1-benzofuran-2-yl)-2-methylbutan-1-one
CID 114736967
7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
CID 111970426
propan-2-yl 2,6-dichlorobenzoate
CID 22149751
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458183
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 7-chloro-1-benzofuran-2-carboxylate?
The IUPAC name of propan-2-yl 7-chloro-1-benzofuran-2-carboxylate (CID 135394390) is propan-2-yl 7-chloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for propan-2-yl 7-chloro-1-benzofuran-2-carboxylate?
The canonical SMILES for propan-2-yl 7-chloro-1-benzofuran-2-carboxylate is CC(C)OC(=O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of propan-2-yl 7-chloro-1-benzofuran-2-carboxylate?
The InChIKey is YVHZIQRSSNYQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-7(2)15-12(14)10-6-8-4-3-5-9(13)11(8)16-10/h3-7H,1-2H3.
What are the key properties of propan-2-yl 7-chloro-1-benzofuran-2-carboxylate?
propan-2-yl 7-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 7-chloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 135394390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).