2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran

C17H15ClO2 — CID 63542473

IUPAC2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran
SMILESCOc1ccccc1CC(Cl)c1cc2ccccc2o1
InChIInChI=1S/C17H15ClO2/c1-19-15-8-4-2-6-12(15)10-14(18)17-11-13-7-3-5-9-16(13)20-17/h2-9,11,14H,10H2,1H3
InChIKeyMKRLOGGBIFGIDR-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.96
Rot. Bonds4

About 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran

2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran (PubChem CID 63542473) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran.

Molecular Properties

Compound Name2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran
PubChem CID63542473
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran
SMILESCOc1ccccc1CC(Cl)c1cc2ccccc2o1
InChIInChI=1S/C17H15ClO2/c1-19-15-8-4-2-6-12(15)10-14(18)17-11-13-7-3-5-9-16(13)20-17/h2-9,11,14H,10H2,1H3
InChIKeyMKRLOGGBIFGIDR-UHFFFAOYSA-N
XLogP4.96
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.96
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-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methoxyphenyl)ethanol
CID 114726331
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542288
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 63017209
1-(1-benzofuran-2-yl)-2-(3-bromo-4-methoxyphenyl)ethanamine
CID 63091845
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
CID 102764766
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63542139
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran?
The IUPAC name of 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran (CID 63542473) is 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran.
What is the SMILES notation for 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran?
The canonical SMILES for 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran is COc1ccccc1CC(Cl)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran?
The InChIKey is MKRLOGGBIFGIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-19-15-8-4-2-6-12(15)10-14(18)17-11-13-7-3-5-9-16(13)20-17/h2-9,11,14H,10H2,1H3.
What are the key properties of 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran?
2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran has a molecular weight of 286.76 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-benzofuran is sourced from PubChem (CID 63542473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).