1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one

C13H11ClO2 — CID 83172819

IUPAC1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C13H11ClO2/c14-11-5-3-10(4-6-11)8-12(15)9-13-2-1-7-16-13/h1-7H,8-9H2
InChIKeySIYKBVNVESQGGY-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.29
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one

1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one (PubChem CID 83172819) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
PubChem CID83172819
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C13H11ClO2/c14-11-5-3-10(4-6-11)8-12(15)9-13-2-1-7-16-13/h1-7H,8-9H2
InChIKeySIYKBVNVESQGGY-UHFFFAOYSA-N
XLogP3.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
4-(furan-2-yl)-1-(4-iodophenyl)butan-2-one
CID 105103087
1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401
1-(4-tert-butylphenyl)-4-(furan-2-yl)butan-2-one
CID 105089444
1-(4-chlorophenyl)butan-2-one
CID 39237509

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one (CID 83172819) is 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1ccco1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one?
The InChIKey is SIYKBVNVESQGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-11-5-3-10(4-6-11)8-12(15)9-13-2-1-7-16-13/h1-7H,8-9H2.
What are the key properties of 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one?
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one has a molecular weight of 234.68 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one is sourced from PubChem (CID 83172819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).