2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran

C17H16Cl2O — CID 79433736

IUPAC2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESClCC(CC1Cc2ccccc2O1)c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2O/c18-11-14(12-5-3-6-15(19)8-12)10-16-9-13-4-1-2-7-17(13)20-16/h1-8,14,16H,9-11H2
InChIKeyLVICNBLZHUIJTB-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.06
Rot. Bonds4

About 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran

2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran (PubChem CID 79433736) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
PubChem CID79433736
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Name2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESClCC(CC1Cc2ccccc2O1)c1cccc(Cl)c1
InChIInChI=1S/C17H16Cl2O/c18-11-14(12-5-3-6-15(19)8-12)10-16-9-13-4-1-2-7-17(13)20-16/h1-8,14,16H,9-11H2
InChIKeyLVICNBLZHUIJTB-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran (CID 79433736) is 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran is ClCC(CC1Cc2ccccc2O1)c1cccc(Cl)c1.
What is the InChIKey of 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The InChIKey is LVICNBLZHUIJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c18-11-14(12-5-3-6-15(19)8-12)10-16-9-13-4-1-2-7-17(13)20-16/h1-8,14,16H,9-11H2.
What are the key properties of 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran?
2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran has a molecular weight of 307.22 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79433736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).