2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan

C14H14Cl2O — CID 106688993

IUPAC2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan
SMILESCc1cc(C)c(C(Cl)c2ccc(Cl)o2)c(C)c1
InChIInChI=1S/C14H14Cl2O/c1-8-6-9(2)13(10(3)7-8)14(16)11-4-5-12(15)17-11/h4-7,14H,1-3H3
InChIKeyALIPCZFMZQIDGQ-UHFFFAOYSA-N
MW269.17 g/mol
LogP5.19
Rot. Bonds2

About 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan

2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan (PubChem CID 106688993) has the molecular formula C14H14Cl2O and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan.

Molecular Properties

Compound Name2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan
PubChem CID106688993
Molecular FormulaC14H14Cl2O
Molecular Weight269.17 g/mol
Exact Mass268.04
IUPAC Name2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan
SMILESCc1cc(C)c(C(Cl)c2ccc(Cl)o2)c(C)c1
InChIInChI=1S/C14H14Cl2O/c1-8-6-9(2)13(10(3)7-8)14(16)11-4-5-12(15)17-11/h4-7,14H,1-3H3
InChIKeyALIPCZFMZQIDGQ-UHFFFAOYSA-N
XLogP5.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.17
LogP ≤ 55.19
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-(2,4,6-trimethylphenyl)methyl]-5-nitrofuran
CID 61085395
2-chloro-5-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]furan
CID 106689203
2-[chloro-(2,5-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 55200035
1-(5-chlorofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 106693567
2-[chloro-(2-chloro-4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 63431338
2-[chloro-(2,3-dimethylphenyl)methyl]-1,3,5-trimethylbenzene
CID 63431805
(5-chlorofuran-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106688821
2-[(2-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431799
2-chloro-5-[chloro-(5-methoxythiophen-2-yl)methyl]furan
CID 130588150
2-[(2-bromophenyl)-chloromethyl]-1,3,5-trimethylbenzene
CID 63431891
(5-chlorofuran-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 106693790
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan?
The IUPAC name of 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan (CID 106688993) is 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan.
What is the SMILES notation for 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan?
The canonical SMILES for 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan is Cc1cc(C)c(C(Cl)c2ccc(Cl)o2)c(C)c1.
What is the InChIKey of 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan?
The InChIKey is ALIPCZFMZQIDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O/c1-8-6-9(2)13(10(3)7-8)14(16)11-4-5-12(15)17-11/h4-7,14H,1-3H3.
What are the key properties of 2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan?
2-chloro-5-[chloro-(2,4,6-trimethylphenyl)methyl]furan has a molecular weight of 269.17 g/mol, XLogP of 5.19, 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-(2,4,6-trimethylphenyl)methyl]furan is sourced from PubChem (CID 106688993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).