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

C17H17ClO3 — CID 69181308

IUPAC5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1cccc(-c2cc(Cl)cc3c2OC(C)C3)c1OC
InChIInChI=1S/C17H17ClO3/c1-10-7-11-8-12(18)9-14(16(11)21-10)13-5-4-6-15(19-2)17(13)20-3/h4-6,8-10H,7H2,1-3H3
InChIKeyGIGTUOWATWKSKS-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.35
Rot. Bonds3

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

5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 69181308) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is 5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID69181308
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1cccc(-c2cc(Cl)cc3c2OC(C)C3)c1OC
InChIInChI=1S/C17H17ClO3/c1-10-7-11-8-12(18)9-14(16(11)21-10)13-5-4-6-15(19-2)17(13)20-3/h4-6,8-10H,7H2,1-3H3
InChIKeyGIGTUOWATWKSKS-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-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108325
7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108156
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
[(3S)-7-chloro-5-(2,3-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002092
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-fluoro-5-(2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69128982
1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11964408
2-[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68963224
7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 143159059
7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 69108438
[(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-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 69181308) is 5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is COc1cccc(-c2cc(Cl)cc3c2OC(C)C3)c1OC.
What is the InChIKey of 5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is GIGTUOWATWKSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-10-7-11-8-12(18)9-14(16(11)21-10)13-5-4-6-15(19-2)17(13)20-3/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran?
5-chloro-7-(2,3-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-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69181308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).