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

C15H12Cl2O — CID 69108804

IUPAC7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2O1
InChIInChI=1S/C15H12Cl2O/c1-9-5-10-3-2-4-14(15(10)18-9)11-6-12(16)8-13(17)7-11/h2-4,6-9H,5H2,1H3
InChIKeySIOUESHSGREURC-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.98
Rot. Bonds1

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

7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 69108804) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID69108804
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2O1
InChIInChI=1S/C15H12Cl2O/c1-9-5-10-3-2-4-14(15(10)18-9)11-6-12(16)8-13(17)7-11/h2-4,6-9H,5H2,1H3
InChIKeySIOUESHSGREURC-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(4-chlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 143159059
7-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108156
2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 151016098
2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 174539381
7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108323
5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 69108438
7-(2,4-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108495
2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 69108447
7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 69177692
7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran
CID 151144295
5-fluoro-2-methyl-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran
CID 69297038

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 69108804) is 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran is CC1Cc2cccc(-c3cc(Cl)cc(Cl)c3)c2O1.
What is the InChIKey of 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is SIOUESHSGREURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c1-9-5-10-3-2-4-14(15(10)18-9)11-6-12(16)8-13(17)7-11/h2-4,6-9H,5H2,1H3.
What are the key properties of 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 279.17 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).