1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone

C12H8Cl2O2 — CID 83172219

IUPAC1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2O2/c13-10-4-3-8(6-11(10)14)12(15)7-9-2-1-5-16-9/h1-6H,7H2
InChIKeyGGLDPNRVJKKVLJ-UHFFFAOYSA-N
MW255.10 g/mol
LogP4.01
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone

1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone (PubChem CID 83172219) has the molecular formula C12H8Cl2O2 and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
PubChem CID83172219
Molecular FormulaC12H8Cl2O2
Molecular Weight255.10 g/mol
Exact Mass253.99
IUPAC Name1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2O2/c13-10-4-3-8(6-11(10)14)12(15)7-9-2-1-5-16-9/h1-6H,7H2
InChIKeyGGLDPNRVJKKVLJ-UHFFFAOYSA-N
XLogP4.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone
CID 116548254
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
CID 114329742
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795642
2-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048514
4-chloro-3-(furan-2-ylmethylamino)benzamide
CID 43679459

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone (CID 83172219) is 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone?
The InChIKey is GGLDPNRVJKKVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2/c13-10-4-3-8(6-11(10)14)12(15)7-9-2-1-5-16-9/h1-6H,7H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone?
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone has a molecular weight of 255.10 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 83172219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).