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

C17H17ClO2 — CID 63021484

IUPAC5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(CC(Cl)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C17H17ClO2/c1-19-16-6-2-12(3-7-16)8-17(18)13-4-5-14-10-20-11-15(14)9-13/h2-7,9,17H,8,10-11H2,1H3
InChIKeyMGEJVZDYIUNQDF-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.25
Rot. Bonds4

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

5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran (PubChem CID 63021484) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran
PubChem CID63021484
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran
SMILESCOc1ccc(CC(Cl)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C17H17ClO2/c1-19-16-6-2-12(3-7-16)8-17(18)13-4-5-14-10-20-11-15(14)9-13/h2-7,9,17H,8,10-11H2,1H3
InChIKeyMGEJVZDYIUNQDF-UHFFFAOYSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.25
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-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63427622
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
CID 63520416
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1,3-dihydro-2-benzofuran
CID 63742340
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
2-[1-chloro-2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 63520431
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 63021274
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
1-butyl-4-[1-chloro-2-(4-methoxyphenyl)ethyl]benzene
CID 63431732
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-[1-chloro-2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxybenzene
CID 63520593
5-[1-bromo-2-(4-methylphenyl)ethyl]-1,3-dihydro-2-benzofuran
CID 55143866

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran (CID 63021484) is 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran is COc1ccc(CC(Cl)c2ccc3c(c2)COC3)cc1.
What is the InChIKey of 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran?
The InChIKey is MGEJVZDYIUNQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-19-16-6-2-12(3-7-16)8-17(18)13-4-5-14-10-20-11-15(14)9-13/h2-7,9,17H,8,10-11H2,1H3.
What are the key properties of 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran?
5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran has a molecular weight of 288.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(4-methoxyphenyl)ethyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 63021484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).