1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene

C25H22 — CID 12704594

IUPAC1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1C1(C)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C25H22/c1-3-12-19-13-10-11-18-22(19)25(2)23(20-14-6-4-7-15-20)24(25)21-16-8-5-9-17-21/h3-11,13-18H,1,12H2,2H3
InChIKeyGRFONUOBNZHNAA-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.30
Rot. Bonds5

About 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene

1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene (PubChem CID 12704594) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene
PubChem CID12704594
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1C1(C)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C25H22/c1-3-12-19-13-10-11-18-22(19)25(2)23(20-14-6-4-7-15-20)24(25)21-16-8-5-9-17-21/h3-11,13-18H,1,12H2,2H3
InChIKeyGRFONUOBNZHNAA-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene?
The IUPAC name of 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene (CID 12704594) is 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene.
What is the SMILES notation for 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene?
The canonical SMILES for 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene is C=CCc1ccccc1C1(C)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene?
The InChIKey is GRFONUOBNZHNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-3-12-19-13-10-11-18-22(19)25(2)23(20-14-6-4-7-15-20)24(25)21-16-8-5-9-17-21/h3-11,13-18H,1,12H2,2H3.
What are the key properties of 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene?
1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene has a molecular weight of 322.45 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-diphenylcycloprop-2-en-1-yl)-2-prop-2-enylbenzene is sourced from PubChem (CID 12704594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).