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

C13H11ClO2 — CID 175418899

IUPAC3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C13H11ClO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-4,6-7,9H,5,8H2
InChIKeyBFVXXVWBIZURQG-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.75
Rot. Bonds4

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

3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one (PubChem CID 175418899) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
PubChem CID175418899
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C13H11ClO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-4,6-7,9H,5,8H2
InChIKeyBFVXXVWBIZURQG-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethanone
CID 103047974
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
4-bromo-1-(furan-2-yl)butan-1-one
CID 3503830
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
1-(furan-2-yl)-6-hydroxyhexan-1-one
CID 58637371
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
CID 110389848
1-(furan-2-yl)undecan-1-one
CID 15721327
2-(2-chlorophenyl)-1-(furan-2-yl)ethanone
CID 61055441

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one (CID 175418899) is 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one is O=C(CCc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one?
The InChIKey is BFVXXVWBIZURQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-11-6-3-10(4-7-11)5-8-12(15)13-2-1-9-16-13/h1-4,6-7,9H,5,8H2.
What are the key properties of 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one?
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one has a molecular weight of 234.68 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one is sourced from PubChem (CID 175418899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).