3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran

C24H18O2 — CID 15854141

IUPAC3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran
SMILESCOc1ccc(C#CCc2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C24H18O2/c1-25-20-16-14-18(15-17-20)8-7-12-22-21-11-5-6-13-23(21)26-24(22)19-9-3-2-4-10-19/h2-6,9-11,13-17H,12H2,1H3
InChIKeyQKCOGHALEATLHU-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.70
Rot. Bonds3

About 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran

3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran (PubChem CID 15854141) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran
PubChem CID15854141
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran
SMILESCOc1ccc(C#CCc2c(-c3ccccc3)oc3ccccc23)cc1
InChIInChI=1S/C24H18O2/c1-25-20-16-14-18(15-17-20)8-7-12-22-21-11-5-6-13-23(21)26-24(22)19-9-3-2-4-10-19/h2-6,9-11,13-17H,12H2,1H3
InChIKeyQKCOGHALEATLHU-UHFFFAOYSA-N
XLogP5.70
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-2-phenyl-1-benzofuran
CID 122390967
1-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]pentan-3-one
CID 101462392
2-(4-methoxyphenyl)-1-benzofuran-3-amine
CID 102535586
(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
3-(2-methylpropyl)-2-phenyl-1-benzofuran
CID 11572364
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran
CID 71608239
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
2-(4-methoxyphenyl)-4-sulfanylidenechromene-3-carbonitrile
CID 134911345
2-phenyl-3-prop-2-enyl-1-benzofuran
CID 15441762
5-methoxy-2-phenyl-3-[(E)-3-phenylprop-2-enyl]-1-benzofuran
CID 132574413
1,3-dimethoxy-5-(3-phenylprop-2-ynyl)benzene
CID 67418685

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran?
The IUPAC name of 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran (CID 15854141) is 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran?
The canonical SMILES for 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran is COc1ccc(C#CCc2c(-c3ccccc3)oc3ccccc23)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran?
The InChIKey is QKCOGHALEATLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-25-20-16-14-18(15-17-20)8-7-12-22-21-11-5-6-13-23(21)26-24(22)19-9-3-2-4-10-19/h2-6,9-11,13-17H,12H2,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran?
3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran has a molecular weight of 338.41 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)prop-2-ynyl]-2-phenyl-1-benzofuran is sourced from PubChem (CID 15854141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).