5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran

C16H14Cl2O2 — CID 104543711

IUPAC5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCOc1ccccc1C(Cl)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H14Cl2O2/c1-19-14-5-3-2-4-12(14)15(18)13-9-11(17)8-10-6-7-20-16(10)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyNTDYFTWBQOGAGW-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.61
Rot. Bonds3

About 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran

5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543711) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543711
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCOc1ccccc1C(Cl)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C16H14Cl2O2/c1-19-14-5-3-2-4-12(14)15(18)13-9-11(17)8-10-6-7-20-16(10)13/h2-5,8-9,15H,6-7H2,1H3
InChIKeyNTDYFTWBQOGAGW-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543301
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543754
7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 107992197
5-chloro-7-[chloro-(3-iodophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543876
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[2-hydroxy-1-(2-methoxyphenyl)ethyl]acetamide
CID 139002960
N-[(2-bromophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 104545592
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 104545535
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 104545551
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-methoxyphenyl)ethanol
CID 104543138
7-(1-bromo-2-phenylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543711) is 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran is COc1ccccc1C(Cl)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is NTDYFTWBQOGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-19-14-5-3-2-4-12(14)15(18)13-9-11(17)8-10-6-7-20-16(10)13/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran?
5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 309.19 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).