2-(3-chlorophenyl)-1-(furan-3-yl)ethanone

C12H9ClO2 — CID 62505293

IUPAC2-(3-chlorophenyl)-1-(furan-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccoc1
InChIInChI=1S/C12H9ClO2/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-6,8H,7H2
InChIKeyYLPOOEPTAUMYGV-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.36
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone

2-(3-chlorophenyl)-1-(furan-3-yl)ethanone (PubChem CID 62505293) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(furan-3-yl)ethanone
PubChem CID62505293
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name2-(3-chlorophenyl)-1-(furan-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccoc1
InChIInChI=1S/C12H9ClO2/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-6,8H,7H2
InChIKeyYLPOOEPTAUMYGV-UHFFFAOYSA-N
XLogP3.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(furan-3-yl)ethanone
CID 61056249
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907
2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 134021917
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
6-[2-(3-chlorophenyl)acetyl]-3-methyl-1,3-benzoxazol-2-one
CID 62504770
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanone
CID 63526481
1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
CID 62629534
N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone (CID 62505293) is 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone is O=C(Cc1cccc(Cl)c1)c1ccoc1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone?
The InChIKey is YLPOOEPTAUMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-6,8H,7H2.
What are the key properties of 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone?
2-(3-chlorophenyl)-1-(furan-3-yl)ethanone has a molecular weight of 220.66 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(furan-3-yl)ethanone is sourced from PubChem (CID 62505293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).