7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran

C22H19ClO — CID 69108274

IUPAC7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
SMILESClc1ccccc1-c1cccc2c1OC(CCc1ccccc1)C2
InChIInChI=1S/C22H19ClO/c23-21-12-5-4-10-19(21)20-11-6-9-17-15-18(24-22(17)20)14-13-16-7-2-1-3-8-16/h1-12,18H,13-15H2
InChIKeyCYXANONIEKAAOQ-UHFFFAOYSA-N
MW334.85 g/mol
LogP5.94
Rot. Bonds4

About 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran

7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran (PubChem CID 69108274) has the molecular formula C22H19ClO and a molecular weight of 334.85 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
PubChem CID69108274
Molecular FormulaC22H19ClO
Molecular Weight334.85 g/mol
Exact Mass334.11
IUPAC Name7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran
SMILESClc1ccccc1-c1cccc2c1OC(CCc1ccccc1)C2
InChIInChI=1S/C22H19ClO/c23-21-12-5-4-10-19(21)20-11-6-9-17-15-18(24-22(17)20)14-13-16-7-2-1-3-8-16/h1-12,18H,13-15H2
InChIKeyCYXANONIEKAAOQ-UHFFFAOYSA-N
XLogP5.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.85
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran (CID 69108274) is 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran is Clc1ccccc1-c1cccc2c1OC(CCc1ccccc1)C2.
What is the InChIKey of 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is CYXANONIEKAAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO/c23-21-12-5-4-10-19(21)20-11-6-9-17-15-18(24-22(17)20)14-13-16-7-2-1-3-8-16/h1-12,18H,13-15H2.
What are the key properties of 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran?
7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 334.85 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-2-(2-phenylethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).