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

C15H12Cl2O — CID 63021653

IUPAC5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESClc1cccc(C(Cl)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C15H12Cl2O/c16-14-3-1-2-10(7-14)15(17)11-4-5-12-8-18-9-13(12)6-11/h1-7,15H,8-9H2
InChIKeyBBSHMODIPKJSEO-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.70
Rot. Bonds2

About 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran

5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 63021653) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID63021653
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESClc1cccc(C(Cl)c2ccc3c(c2)COC3)c1
InChIInChI=1S/C15H12Cl2O/c16-14-3-1-2-10(7-14)15(17)11-4-5-12-8-18-9-13(12)6-11/h1-7,15H,8-9H2
InChIKeyBBSHMODIPKJSEO-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.70
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 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran (CID 63021653) is 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran is Clc1cccc(C(Cl)c2ccc3c(c2)COC3)c1.
What is the InChIKey of 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is BBSHMODIPKJSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-14-3-1-2-10(7-14)15(17)11-4-5-12-8-18-9-13(12)6-11/h1-7,15H,8-9H2.
What are the key properties of 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran?
5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 279.17 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 63021653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).