1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one

C11H11ClO2 — CID 117198387

IUPAC1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one
SMILESCC(=O)CC1Cc2c(Cl)cccc2O1
InChIInChI=1S/C11H11ClO2/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,8H,5-6H2,1H3
InChIKeyYQBGHCJWPPVLGB-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.62
Rot. Bonds2

About 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one

1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one (PubChem CID 117198387) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one
PubChem CID117198387
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one
SMILESCC(=O)CC1Cc2c(Cl)cccc2O1
InChIInChI=1S/C11H11ClO2/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,8H,5-6H2,1H3
InChIKeyYQBGHCJWPPVLGB-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-3,4-dihydro-2H-chromen-3-yl)ethanone
CID 165460900
1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)-2-methylbutan-1-one
CID 165451462
1-(4-phenyl-2,3-dihydro-1-benzoxepin-2-yl)propan-2-one
CID 101030630
(4-methyl-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244647
(3S)-5-chloro-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 96778514
methyl 5-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 170904473
2-methyl-1-(4-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-ol
CID 117198214
1-(4,6,6-trimethyl-2,3-dihydropyran-2-yl)propan-2-one
CID 10487684
4-methyl-2-propyl-2,3-dihydro-1-benzofuran
CID 141132371
2-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117198906
3-(4-methoxy-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117198928
2-amino-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 143813731

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one?
The IUPAC name of 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one (CID 117198387) is 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one?
The canonical SMILES for 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one is CC(=O)CC1Cc2c(Cl)cccc2O1.
What is the InChIKey of 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one?
The InChIKey is YQBGHCJWPPVLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-7(13)5-8-6-9-10(12)3-2-4-11(9)14-8/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one?
1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one has a molecular weight of 210.66 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dihydro-1-benzofuran-2-yl)propan-2-one is sourced from PubChem (CID 117198387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).