5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran

C16H14Cl2O — CID 104543754

IUPAC5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(Cl)c2cc(Cl)cc3c2OCC3)cc1
InChIInChI=1S/C16H14Cl2O/c1-10-2-4-11(5-3-10)15(18)14-9-13(17)8-12-6-7-19-16(12)14/h2-5,8-9,15H,6-7H2,1H3
InChIKeyLYVYQHFBKVJSHN-UHFFFAOYSA-N
MW293.19 g/mol
LogP4.91
Rot. Bonds2

About 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran

5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 104543754) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID104543754
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C(Cl)c2cc(Cl)cc3c2OCC3)cc1
InChIInChI=1S/C16H14Cl2O/c1-10-2-4-11(5-3-10)15(18)14-9-13(17)8-12-6-7-19-16(12)14/h2-5,8-9,15H,6-7H2,1H3
InChIKeyLYVYQHFBKVJSHN-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 54.91
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-(4-methylphenyl)methyl]-5-iodo-2,3-dihydro-1-benzofuran
CID 114279867
5-chloro-7-[chloro-(3-iodophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543876
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
5-chloro-7-[chloro-(2-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543711
7-[bromo-(3-chloro-5-methylphenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544026
7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 107992197
1-(4-bromophenyl)-1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 104545501
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfanylphenyl)methanamine
CID 104545238
5-bromo-7-[chloro-(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543401
5-chloro-7-[chloro(thieno[3,2-b]thiophen-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543726
5-bromo-7-[(2-bromo-5-methylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 104543457

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran (CID 104543754) is 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is Cc1ccc(C(Cl)c2cc(Cl)cc3c2OCC3)cc1.
What is the InChIKey of 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is LYVYQHFBKVJSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10-2-4-11(5-3-10)15(18)14-9-13(17)8-12-6-7-19-16(12)14/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran?
5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 293.19 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104543754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).