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

C16H14Cl2O2 — CID 63020619

IUPAC5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14Cl2O2/c1-19-15-5-4-13(17)7-14(15)16(18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16H,8-9H2,1H3
InChIKeySLUOMTXZGWIACD-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.71
Rot. Bonds3

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

5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 63020619) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID63020619
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc2c(c1)COC2
InChIInChI=1S/C16H14Cl2O2/c1-19-15-5-4-13(17)7-14(15)16(18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16H,8-9H2,1H3
InChIKeySLUOMTXZGWIACD-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

4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
(3-chloro-4-methoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63743010
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021653
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
CID 113425541
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 63018999

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran (CID 63020619) is 5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran is COc1ccc(Cl)cc1C(Cl)c1ccc2c(c1)COC2.
What is the InChIKey of 5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is SLUOMTXZGWIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-19-15-5-4-13(17)7-14(15)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-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran?
5-[chloro-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 63020619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).