2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan

C12H8Cl4O — CID 106689813

IUPAC2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
SMILESClc1ccc(CC(Cl)c2ccoc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl4O/c13-9-2-1-7(6-11(9)15)5-10(14)8-3-4-17-12(8)16/h1-4,6,10H,5H2
InChIKeyLRPITYAHKLXHEP-UHFFFAOYSA-N
MW310.01 g/mol
LogP5.76
Rot. Bonds3

About 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan

2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan (PubChem CID 106689813) has the molecular formula C12H8Cl4O and a molecular weight of 310.01 g/mol. Its IUPAC name is 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
PubChem CID106689813
Molecular FormulaC12H8Cl4O
Molecular Weight310.01 g/mol
Exact Mass307.93
IUPAC Name2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
SMILESClc1ccc(CC(Cl)c2ccoc2Cl)cc1Cl
InChIInChI=1S/C12H8Cl4O/c13-9-2-1-7(6-11(9)15)5-10(14)8-3-4-17-12(8)16/h1-4,6,10H,5H2
InChIKeyLRPITYAHKLXHEP-UHFFFAOYSA-N
XLogP5.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.01
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan
CID 106689725
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
CID 63433697
3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran
CID 63530762
2-(3-chloro-4-fluorophenyl)-1-(2-chlorofuran-3-yl)ethanol
CID 106694105
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114103870
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]pyrimidine
CID 114552967
3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran
CID 114103882
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
CID 63429579
1,4-dichloro-2-(1-chloro-2-phenylethyl)benzene
CID 55249874
4-bromo-2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1-ethoxybenzene
CID 63434482

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan?
The IUPAC name of 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan (CID 106689813) is 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan.
What is the SMILES notation for 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan?
The canonical SMILES for 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan is Clc1ccc(CC(Cl)c2ccoc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan?
The InChIKey is LRPITYAHKLXHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4O/c13-9-2-1-7(6-11(9)15)5-10(14)8-3-4-17-12(8)16/h1-4,6,10H,5H2.
What are the key properties of 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan?
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan has a molecular weight of 310.01 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan is sourced from PubChem (CID 106689813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).