2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan

C13H11Cl3O — CID 106689203

IUPAC2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan
SMILESCc1cc(Cl)c(C(Cl)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C13H11Cl3O/c1-7-5-9(10(14)6-8(7)2)13(16)11-3-4-12(15)17-11/h3-6,13H,1-2H3
InChIKeyUREVIWCYTRUEES-UHFFFAOYSA-N
MW289.59 g/mol
LogP5.53
Rot. Bonds2

About 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan

2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan (PubChem CID 106689203) has the molecular formula C13H11Cl3O and a molecular weight of 289.59 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan.

Molecular Properties

Compound Name2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan
PubChem CID106689203
Molecular FormulaC13H11Cl3O
Molecular Weight289.59 g/mol
Exact Mass287.99
IUPAC Name2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan
SMILESCc1cc(Cl)c(C(Cl)c2ccc(Cl)o2)cc1C
InChIInChI=1S/C13H11Cl3O/c1-7-5-9(10(14)6-8(7)2)13(16)11-3-4-12(15)17-11/h3-6,13H,1-2H3
InChIKeyUREVIWCYTRUEES-UHFFFAOYSA-N
XLogP5.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.59
LogP ≤ 55.53
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-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan
CID 106688993
(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 106693790
1-chloro-2-[chloro-(4-chlorophenyl)methyl]-4,5-dimethylbenzene
CID 113319612
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 113319625
1-[(5-bromo-2-fluorophenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 115484618
1-chloro-2-[chloro-(2,6-difluoro-3-methylphenyl)methyl]-4,5-dimethylbenzene
CID 82816424
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
2-bromo-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-3-methylthiophene
CID 115484725
1-chloro-2-[chloro-[3-(trifluoromethyl)phenyl]methyl]-4,5-dimethylbenzene
CID 115484622
2-chloro-5-[chloro-(3,4-diethoxyphenyl)methyl]furan
CID 106688988
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-5-chlorofuran
CID 106689774
2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan
CID 130588150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan?
The IUPAC name of 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan (CID 106689203) is 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan.
What is the SMILES notation for 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan?
The canonical SMILES for 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan is Cc1cc(Cl)c(C(Cl)c2ccc(Cl)o2)cc1C.
What is the InChIKey of 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan?
The InChIKey is UREVIWCYTRUEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3O/c1-7-5-9(10(14)6-8(7)2)13(16)11-3-4-12(15)17-11/h3-6,13H,1-2H3.
What are the key properties of 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan?
2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan has a molecular weight of 289.59 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan is sourced from PubChem (CID 106689203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).