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

C16H14Cl2O2 — CID 63743696

IUPAC5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(C(Cl)c2ccc3c(c2)COC3)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-19-13-4-5-14(15(17)7-13)16(18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16H,8-9H2,1H3
InChIKeyJRRWJPCSRLGSHB-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.71
Rot. Bonds3

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

5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 63743696) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID63743696
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(C(Cl)c2ccc3c(c2)COC3)c(Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-19-13-4-5-14(15(17)7-13)16(18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16H,8-9H2,1H3
InChIKeyJRRWJPCSRLGSHB-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
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

2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
CID 63434290
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020619
2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
CID 63434674
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
1-[(4-tert-butylphenyl)-chloromethyl]-2-chloro-4-methoxybenzene
CID 63434462
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran
CID 63021484
(2-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 61082278
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran (CID 63743696) is 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran is COc1ccc(C(Cl)c2ccc3c(c2)COC3)c(Cl)c1.
What is the InChIKey of 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is JRRWJPCSRLGSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-19-13-4-5-14(15(17)7-13)16(18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16H,8-9H2,1H3.
What are the key properties of 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 309.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 63743696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).