1-(4-chloro-1-benzofuran-2-yl)propan-2-one

C11H9ClO2 — CID 117194376

IUPAC1-(4-chloro-1-benzofuran-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2c(Cl)cccc2o1
InChIInChI=1S/C11H9ClO2/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,6H,5H2,1H3
InChIKeySXPVXNZEXNRIBR-UHFFFAOYSA-N
MW208.64 g/mol
LogP3.22
Rot. Bonds2

About 1-(4-chloro-1-benzofuran-2-yl)propan-2-one

1-(4-chloro-1-benzofuran-2-yl)propan-2-one (PubChem CID 117194376) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is 1-(4-chloro-1-benzofuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1-benzofuran-2-yl)propan-2-one
PubChem CID117194376
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name1-(4-chloro-1-benzofuran-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2c(Cl)cccc2o1
InChIInChI=1S/C11H9ClO2/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,6H,5H2,1H3
InChIKeySXPVXNZEXNRIBR-UHFFFAOYSA-N
XLogP3.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-1-benzofuran-2-yl)propan-2-one
CID 117194378
4-chloro-2-ethyl-1-benzofuran
CID 173058646
1-[4-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-one
CID 117194219
3-(4-chloro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117119938
(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
CID 114321295
3-(5-chloro-2-oxochromen-3-yl)propanoic acid
CID 91622535
4-chloro-1-benzofuran-2-sulfonyl chloride
CID 83900452
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 114321321
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one
CID 103481074
(4-chloro-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanone
CID 114321311

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-benzofuran-2-yl)propan-2-one?
The IUPAC name of 1-(4-chloro-1-benzofuran-2-yl)propan-2-one (CID 117194376) is 1-(4-chloro-1-benzofuran-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-1-benzofuran-2-yl)propan-2-one?
The canonical SMILES for 1-(4-chloro-1-benzofuran-2-yl)propan-2-one is CC(=O)Cc1cc2c(Cl)cccc2o1.
What is the InChIKey of 1-(4-chloro-1-benzofuran-2-yl)propan-2-one?
The InChIKey is SXPVXNZEXNRIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,6H,5H2,1H3.
What are the key properties of 1-(4-chloro-1-benzofuran-2-yl)propan-2-one?
1-(4-chloro-1-benzofuran-2-yl)propan-2-one has a molecular weight of 208.64 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-benzofuran-2-yl)propan-2-one is sourced from PubChem (CID 117194376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).