7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran

C22H19ClO — CID 151144295

IUPAC7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C)c(C2Cc3cccc(-c4ccc(Cl)cc4)c3O2)c1
InChIInChI=1S/C22H19ClO/c1-14-6-7-15(2)20(12-14)21-13-17-4-3-5-19(22(17)24-21)16-8-10-18(23)11-9-16/h3-12,21H,13H2,1-2H3
InChIKeyMWWADOXNYSCVPM-UHFFFAOYSA-N
MW334.85 g/mol
LogP6.30
Rot. Bonds2

About 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran

7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 151144295) has the molecular formula C22H19ClO and a molecular weight of 334.85 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID151144295
Molecular FormulaC22H19ClO
Molecular Weight334.85 g/mol
Exact Mass334.11
IUPAC Name7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(C)c(C2Cc3cccc(-c4ccc(Cl)cc4)c3O2)c1
InChIInChI=1S/C22H19ClO/c1-14-6-7-15(2)20(12-14)21-13-17-4-3-5-19(22(17)24-21)16-8-10-18(23)11-9-16/h3-12,21H,13H2,1-2H3
InChIKeyMWWADOXNYSCVPM-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 56.30
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
methyl 2-[7-(2,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-4-methylbenzenesulfonate
CID 91096764
methyl 2-[7-(2,3-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]-4-methylbenzenesulfonate
CID 90736389
2-(azidomethyl)-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 86599211
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
2-[(2R)-7-(3-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 125485635
[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 68964315
methyl 2-[7-(3-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]-4-methylbenzenesulfonate
CID 91117127
methyl 2-[5-chloro-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]-4-methylbenzenesulfonate
CID 91155411
methyl 4-methyl-2-[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]benzenesulfonate
CID 91262951
[7-(4-chlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599322

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran (CID 151144295) is 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran is Cc1ccc(C)c(C2Cc3cccc(-c4ccc(Cl)cc4)c3O2)c1.
What is the InChIKey of 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is MWWADOXNYSCVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO/c1-14-6-7-15(2)20(12-14)21-13-17-4-3-5-19(22(17)24-21)16-8-10-18(23)11-9-16/h3-12,21H,13H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran?
7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 334.85 g/mol, XLogP of 6.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-(2,5-dimethylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 151144295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).