2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran

C17H14Cl2O — CID 63543684

IUPAC2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran
SMILESCc1ccc2oc(C(Cl)Cc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H14Cl2O/c1-11-2-7-16-13(8-11)10-17(20-16)15(19)9-12-3-5-14(18)6-4-12/h2-8,10,15H,9H2,1H3
InChIKeyRCELRVPSPFBSEZ-UHFFFAOYSA-N
MW305.20 g/mol
LogP5.92
Rot. Bonds3

About 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran

2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran (PubChem CID 63543684) has the molecular formula C17H14Cl2O and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran.

Molecular Properties

Compound Name2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran
PubChem CID63543684
Molecular FormulaC17H14Cl2O
Molecular Weight305.20 g/mol
Exact Mass304.04
IUPAC Name2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran
SMILESCc1ccc2oc(C(Cl)Cc3ccc(Cl)cc3)cc2c1
InChIInChI=1S/C17H14Cl2O/c1-11-2-7-16-13(8-11)10-17(20-16)15(19)9-12-3-5-14(18)6-4-12/h2-8,10,15H,9H2,1H3
InChIKeyRCELRVPSPFBSEZ-UHFFFAOYSA-N
XLogP5.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.20
LogP ≤ 55.92
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-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542686
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
2-(4-chlorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726793
2-(5-chloro-2-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 103053486
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
(4-ethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723460
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran?
The IUPAC name of 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran (CID 63543684) is 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran.
What is the SMILES notation for 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran?
The canonical SMILES for 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran is Cc1ccc2oc(C(Cl)Cc3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran?
The InChIKey is RCELRVPSPFBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O/c1-11-2-7-16-13(8-11)10-17(20-16)15(19)9-12-3-5-14(18)6-4-12/h2-8,10,15H,9H2,1H3.
What are the key properties of 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran?
2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran has a molecular weight of 305.20 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(4-chlorophenyl)ethyl]-5-methyl-1-benzofuran is sourced from PubChem (CID 63543684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).