7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran

C16H15ClO2 — CID 69108156

IUPAC7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(Cl)cc1-c1cccc2c1OC(C)C2
InChIInChI=1S/C16H15ClO2/c1-10-8-11-4-3-5-13(16(11)19-10)14-9-12(17)6-7-15(14)18-2/h3-7,9-10H,8H2,1-2H3
InChIKeyLJRVSAVBAWSNND-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.34
Rot. Bonds2

About 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran

7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 69108156) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID69108156
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(Cl)cc1-c1cccc2c1OC(C)C2
InChIInChI=1S/C16H15ClO2/c1-10-8-11-4-3-5-13(16(11)19-10)14-9-12(17)6-7-15(14)18-2/h3-7,9-10H,8H2,1-2H3
InChIKeyLJRVSAVBAWSNND-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 91430918
7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 143159059
5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
7-(2,5-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69107948
5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108325
7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108323
7-(2,4-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108495
7-fluoro-5-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69128982
7-(2,4-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69177577
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11219873
1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961665

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 69108156) is 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is COc1ccc(Cl)cc1-c1cccc2c1OC(C)C2.
What is the InChIKey of 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is LJRVSAVBAWSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-10-8-11-4-3-5-13(16(11)19-10)14-9-12(17)6-7-15(14)18-2/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 274.75 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).