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

C16H14Cl2O — CID 69108438

IUPAC7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(C)C2
InChIInChI=1S/C16H14Cl2O/c1-9-6-11-8-10(2)19-16(11)12(7-9)15-13(17)4-3-5-14(15)18/h3-7,10H,8H2,1-2H3
InChIKeyXWFNATPPOGEQPE-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.29
Rot. Bonds1

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

7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 69108438) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID69108438
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(C)C2
InChIInChI=1S/C16H14Cl2O/c1-9-6-11-8-10(2)19-16(11)12(7-9)15-13(17)4-3-5-14(15)18/h3-7,10H,8H2,1-2H3
InChIKeyXWFNATPPOGEQPE-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.29
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)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran (CID 69108438) is 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran is Cc1cc2c(c(-c3c(Cl)cccc3Cl)c1)OC(C)C2.
What is the InChIKey of 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is XWFNATPPOGEQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-9-6-11-8-10(2)19-16(11)12(7-9)15-13(17)4-3-5-14(15)18/h3-7,10H,8H2,1-2H3.
What are the key properties of 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 293.19 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).