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

C15H11Cl3O — CID 63430264

IUPAC5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(C(Cl)c2ccc3c(c2)CCO3)c1Cl
InChIInChI=1S/C15H11Cl3O/c16-12-3-1-2-11(15(12)18)14(17)10-4-5-13-9(8-10)6-7-19-13/h1-5,8,14H,6-7H2
InChIKeyQHJBUMVAFTYXMZ-UHFFFAOYSA-N
MW313.61 g/mol
LogP5.26
Rot. Bonds2

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

5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 63430264) has the molecular formula C15H11Cl3O and a molecular weight of 313.61 g/mol. Its IUPAC name is 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID63430264
Molecular FormulaC15H11Cl3O
Molecular Weight313.61 g/mol
Exact Mass311.99
IUPAC Name5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESClc1cccc(C(Cl)c2ccc3c(c2)CCO3)c1Cl
InChIInChI=1S/C15H11Cl3O/c16-12-3-1-2-11(15(12)18)14(17)10-4-5-13-9(8-10)6-7-19-13/h1-5,8,14H,6-7H2
InChIKeyQHJBUMVAFTYXMZ-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.61
LogP ≤ 55.26
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

7-[chloro-(2,3-dichlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63429460
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 107307473
5-[chloro-(3-chloro-4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429924
[(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105211193
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
5-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 81128905
6-[chloro-(2-chloro-4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434838
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 63430264) is 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran is Clc1cccc(C(Cl)c2ccc3c(c2)CCO3)c1Cl.
What is the InChIKey of 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is QHJBUMVAFTYXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O/c16-12-3-1-2-11(15(12)18)14(17)10-4-5-13-9(8-10)6-7-19-13/h1-5,8,14H,6-7H2.
What are the key properties of 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 313.61 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 63430264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).