3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran

C14H13Cl3O — CID 63530762

IUPAC3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran
SMILESCc1cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c(C)o1
InChIInChI=1S/C14H13Cl3O/c1-8-5-11(9(2)18-8)13(16)6-10-3-4-12(15)14(17)7-10/h3-5,7,13H,6H2,1-2H3
InChIKeyDBQDHMAOPJJORV-UHFFFAOYSA-N
MW303.62 g/mol
LogP5.73
Rot. Bonds3

About 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran

3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran (PubChem CID 63530762) has the molecular formula C14H13Cl3O and a molecular weight of 303.62 g/mol. Its IUPAC name is 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran.

Molecular Properties

Compound Name3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran
PubChem CID63530762
Molecular FormulaC14H13Cl3O
Molecular Weight303.62 g/mol
Exact Mass302.00
IUPAC Name3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran
SMILESCc1cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c(C)o1
InChIInChI=1S/C14H13Cl3O/c1-8-5-11(9(2)18-8)13(16)6-10-3-4-12(15)14(17)7-10/h3-5,7,13H,6H2,1-2H3
InChIKeyDBQDHMAOPJJORV-UHFFFAOYSA-N
XLogP5.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.62
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran 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

2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
CID 63429579
(3,4-dichlorophenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 61081015
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
1,2-dichloro-4-[2-chloro-2-(2,4-difluorophenyl)ethyl]benzene
CID 63433697
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-3-methylthiophene
CID 63531439
2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]pyrimidine
CID 114552967
4-bromo-2-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-1-ethoxybenzene
CID 63434482
3-[chloro-(4-propylphenyl)methyl]-2,5-dimethylfuran
CID 63432646
3-[1-bromo-2-(4-methylphenyl)ethyl]-2,5-dimethylfuran
CID 55222953
1-(2,5-dimethylfuran-3-yl)-2-(4-ethylphenyl)ethanol
CID 114980726
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824

Frequently Asked Questions

What is the IUPAC name of 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran?
The IUPAC name of 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran (CID 63530762) is 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran.
What is the SMILES notation for 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran?
The canonical SMILES for 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran is Cc1cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c(C)o1.
What is the InChIKey of 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran?
The InChIKey is DBQDHMAOPJJORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3O/c1-8-5-11(9(2)18-8)13(16)6-10-3-4-12(15)14(17)7-10/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran?
3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran has a molecular weight of 303.62 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]-2,5-dimethylfuran is sourced from PubChem (CID 63530762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).