2-(4-chlorophenyl)-1-(furan-2-yl)ethanone

C12H9ClO2 — CID 11096153

IUPAC2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C12H9ClO2/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7H,8H2
InChIKeyQQZZJFGOCBBOBZ-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.36
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone

2-(4-chlorophenyl)-1-(furan-2-yl)ethanone (PubChem CID 11096153) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
PubChem CID11096153
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Name2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C12H9ClO2/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7H,8H2
InChIKeyQQZZJFGOCBBOBZ-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

3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 103047974
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
CID 2276392
1-(2-chlorofuran-3-yl)-2-(4-chlorophenyl)ethanone
CID 106687672
2-(2,5-dichlorophenyl)sulfinyl-1-(furan-2-yl)ethanone
CID 64636306
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(cyclohexen-1-yl)-1-(furan-2-yl)ethanone
CID 116659668
1-(furan-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 62717295
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 62716973

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone (CID 11096153) is 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone is O=C(Cc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone?
The InChIKey is QQZZJFGOCBBOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c13-10-5-3-9(4-6-10)8-11(14)12-2-1-7-15-12/h1-7H,8H2.
What are the key properties of 2-(4-chlorophenyl)-1-(furan-2-yl)ethanone?
2-(4-chlorophenyl)-1-(furan-2-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-(4-chlorophenyl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 11096153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).