4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran

C26H19ClO — CID 154711659

IUPAC4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran
SMILESClc1ccc(-c2c3c(cc(-c4ccccc4)c2-c2ccccc2)COC3)cc1
InChIInChI=1S/C26H19ClO/c27-22-13-11-20(12-14-22)26-24-17-28-16-21(24)15-23(18-7-3-1-4-8-18)25(26)19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyIXECOIBQYQLWAQ-UHFFFAOYSA-N
MW382.89 g/mol
LogP7.37
Rot. Bonds3

About 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran

4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran (PubChem CID 154711659) has the molecular formula C26H19ClO and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran
PubChem CID154711659
Molecular FormulaC26H19ClO
Molecular Weight382.89 g/mol
Exact Mass382.11
IUPAC Name4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran
SMILESClc1ccc(-c2c3c(cc(-c4ccccc4)c2-c2ccccc2)COC3)cc1
InChIInChI=1S/C26H19ClO/c27-22-13-11-20(12-14-22)26-24-17-28-16-21(24)15-23(18-7-3-1-4-8-18)25(26)19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyIXECOIBQYQLWAQ-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(4-chlorophenyl)-1,3-dihydrofuro[3,4-c]pyridine
CID 102592802
(4,7-diphenyl-1,3-dihydro-2-benzofuran-5-yl)methanol
CID 15537597
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
7-methyl-4-phenyl-1,3-dihydro-2-benzofuran-5-ol
CID 138973700
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
CID 102232436
9-[3-(4-chlorophenyl)-2-(4-phenylphenyl)phenyl]carbazole
CID 170272912
6-(4-chlorophenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767973
6-hexyl-4-phenyl-1,3-dihydro-2-benzofuran
CID 24976671
3,5-dichloro-2,6-bis(4-chlorophenyl)-4-phenylpyrylium perchlorate
CID 14687807
2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran (CID 154711659) is 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran is Clc1ccc(-c2c3c(cc(-c4ccccc4)c2-c2ccccc2)COC3)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran?
The InChIKey is IXECOIBQYQLWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClO/c27-22-13-11-20(12-14-22)26-24-17-28-16-21(24)15-23(18-7-3-1-4-8-18)25(26)19-9-5-2-6-10-19/h1-15H,16-17H2.
What are the key properties of 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran?
4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran has a molecular weight of 382.89 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5,6-diphenyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 154711659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).