3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran

C24H18O — CID 15854138

IUPAC3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran
SMILESC=C=C(c1ccc(C)cc1)c1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H18O/c1-3-20(18-15-13-17(2)14-16-18)23-21-11-7-8-12-22(21)25-24(23)19-9-5-4-6-10-19/h4-16H,1H2,2H3
InChIKeyUCUHBEIFFMMLIS-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.62
Rot. Bonds3

About 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran

3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran (PubChem CID 15854138) has the molecular formula C24H18O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran
PubChem CID15854138
Molecular FormulaC24H18O
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran
SMILESC=C=C(c1ccc(C)cc1)c1c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C24H18O/c1-3-20(18-15-13-17(2)14-16-18)23-21-11-7-8-12-22(21)25-24(23)19-9-5-4-6-10-19/h4-16H,1H2,2H3
InChIKeyUCUHBEIFFMMLIS-UHFFFAOYSA-N
XLogP6.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
(3-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 21435338
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
4-[2-(4-methylphenyl)-1-benzofuran-3-yl]-5-phenyl-2H-triazole
CID 138393037
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
2-(4-methylphenyl)-3-(4-methylphenyl)tellanyl-1-benzofuran
CID 177419881
(4-phenylphenyl)-(2-pyridin-2-yl-1-benzofuran-3-yl)methanone
CID 122208629
[4-(dibenzylamino)phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
CID 155547193

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran?
The IUPAC name of 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran (CID 15854138) is 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran.
What is the SMILES notation for 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran?
The canonical SMILES for 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran is C=C=C(c1ccc(C)cc1)c1c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran?
The InChIKey is UCUHBEIFFMMLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O/c1-3-20(18-15-13-17(2)14-16-18)23-21-11-7-8-12-22(21)25-24(23)19-9-5-4-6-10-19/h4-16H,1H2,2H3.
What are the key properties of 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran?
3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran has a molecular weight of 322.41 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylphenyl)propa-1,2-dienyl]-2-phenyl-1-benzofuran is sourced from PubChem (CID 15854138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).