1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one

C17H13ClO2 — CID 114732079

IUPAC1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H13ClO2/c1-2-15(19)11-3-5-12(6-4-11)17-10-13-9-14(18)7-8-16(13)20-17/h3-10H,2H2,1H3
InChIKeyXNOPLLGAVIHEIQ-UHFFFAOYSA-N
MW284.74 g/mol
LogP5.35
Rot. Bonds3

About 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one

1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one (PubChem CID 114732079) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
PubChem CID114732079
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C17H13ClO2/c1-2-15(19)11-3-5-12(6-4-11)17-10-13-9-14(18)7-8-16(13)20-17/h3-10H,2H2,1H3
InChIKeyXNOPLLGAVIHEIQ-UHFFFAOYSA-N
XLogP5.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.74
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(4-propanoylphenyl) 6-chloro-2-oxochromene-3-carboxylate
CID 19132487
methyl 2-(4-chlorophenyl)-1-benzofuran-5-carboxylate
CID 67551871
N-[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 25470108
methyl 3-(5-chloro-1-benzofuran-2-yl)benzoate
CID 172602986
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid
CID 67551372
3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318
2,4-dichloro-6-(5-chloro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734218
5-(5-chloro-1-benzofuran-2-yl)-2-methoxyaniline
CID 114731889
2-(3-bromophenyl)-5-chloro-1-benzofuran
CID 91689952
6-chloro-3-hydroxychromen-2-one
CID 15339907

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one (CID 114732079) is 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one is CCC(=O)c1ccc(-c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one?
The InChIKey is XNOPLLGAVIHEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-2-15(19)11-3-5-12(6-4-11)17-10-13-9-14(18)7-8-16(13)20-17/h3-10H,2H2,1H3.
What are the key properties of 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one?
1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one has a molecular weight of 284.74 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-1-benzofuran-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 114732079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).