7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran

C23H20Cl2O — CID 69107909

IUPAC7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CCc1ccccc1)C2
InChIInChI=1S/C23H20Cl2O/c1-15-12-17-14-18(11-10-16-6-3-2-4-7-16)26-23(17)19(13-15)22-20(24)8-5-9-21(22)25/h2-9,12-13,18H,10-11,14H2,1H3
InChIKeyBEWWAMUJKRXLCK-UHFFFAOYSA-N
MW383.32 g/mol
LogP6.91
Rot. Bonds4

About 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran

7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran (PubChem CID 69107909) has the molecular formula C23H20Cl2O and a molecular weight of 383.32 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
PubChem CID69107909
Molecular FormulaC23H20Cl2O
Molecular Weight383.32 g/mol
Exact Mass382.09
IUPAC Name7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CCc1ccccc1)C2
InChIInChI=1S/C23H20Cl2O/c1-15-12-17-14-18(11-10-16-6-3-2-4-7-16)26-23(17)19(13-15)22-20(24)8-5-9-21(22)25/h2-9,12-13,18H,10-11,14H2,1H3
InChIKeyBEWWAMUJKRXLCK-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran (CID 69107909) is 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran is Cc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(CCc1ccccc1)C2.
What is the InChIKey of 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is BEWWAMUJKRXLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2O/c1-15-12-17-14-18(11-10-16-6-3-2-4-7-16)26-23(17)19(13-15)22-20(24)8-5-9-21(22)25/h2-9,12-13,18H,10-11,14H2,1H3.
What are the key properties of 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 383.32 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-5-methyl-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69107909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).