2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran

C28H22O — CID 166880405

IUPAC2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran
SMILESC=C(c1cccc(C)c1)c1c(-c2ccccc2C)oc2cc3ccccc3cc12
InChIInChI=1S/C28H22O/c1-18-9-8-13-21(15-18)20(3)27-25-16-22-11-5-6-12-23(22)17-26(25)29-28(27)24-14-7-4-10-19(24)2/h4-17H,3H2,1-2H3
InChIKeyFNHZIVFKEGCPJO-UHFFFAOYSA-N
MW374.48 g/mol
LogP7.93
Rot. Bonds3

About 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran

2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran (PubChem CID 166880405) has the molecular formula C28H22O and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran
PubChem CID166880405
Molecular FormulaC28H22O
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran
SMILESC=C(c1cccc(C)c1)c1c(-c2ccccc2C)oc2cc3ccccc3cc12
InChIInChI=1S/C28H22O/c1-18-9-8-13-21(15-18)20(3)27-25-16-22-11-5-6-12-23(22)17-26(25)29-28(27)24-14-7-4-10-19(24)2/h4-17H,3H2,1-2H3
InChIKeyFNHZIVFKEGCPJO-UHFFFAOYSA-N
XLogP7.93
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran?
The IUPAC name of 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran (CID 166880405) is 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran.
What is the SMILES notation for 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran?
The canonical SMILES for 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran is C=C(c1cccc(C)c1)c1c(-c2ccccc2C)oc2cc3ccccc3cc12.
What is the InChIKey of 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran?
The InChIKey is FNHZIVFKEGCPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O/c1-18-9-8-13-21(15-18)20(3)27-25-16-22-11-5-6-12-23(22)17-26(25)29-28(27)24-14-7-4-10-19(24)2/h4-17H,3H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran?
2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran has a molecular weight of 374.48 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-[1-(3-methylphenyl)ethenyl]benzo[f][1]benzofuran is sourced from PubChem (CID 166880405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).