5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran

C17H17ClO3 — CID 69108325

IUPAC5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(-c2cc(Cl)cc3c2OC(C)C3)c(OC)c1
InChIInChI=1S/C17H17ClO3/c1-10-6-11-7-12(18)8-15(17(11)21-10)14-5-4-13(19-2)9-16(14)20-3/h4-5,7-10H,6H2,1-3H3
InChIKeyFGOLOFXWXXCRPB-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.35
Rot. Bonds3

About 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran

5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 69108325) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID69108325
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc(-c2cc(Cl)cc3c2OC(C)C3)c(OC)c1
InChIInChI=1S/C17H17ClO3/c1-10-6-11-7-12(18)8-15(17(11)21-10)14-5-4-13(19-2)9-16(14)20-3/h4-5,7-10H,6H2,1-3H3
InChIKeyFGOLOFXWXXCRPB-UHFFFAOYSA-N
XLogP4.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
7-(2,5-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69107948
7-(2,4-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69177577
7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108156
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
CID 117377961
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961665
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
7-fluoro-5-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108617
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
[7-(2,5-dimethoxyphenyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 15941645
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 69108325) is 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is COc1ccc(-c2cc(Cl)cc3c2OC(C)C3)c(OC)c1.
What is the InChIKey of 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is FGOLOFXWXXCRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-10-6-11-7-12(18)8-15(17(11)21-10)14-5-4-13(19-2)9-16(14)20-3/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 304.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).