(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene

C19H18 — CID 12584652

IUPAC(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
SMILESC=CCC1(C)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H18/c1-3-14-19(2)17(15-10-6-4-7-11-15)18(19)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3
InChIKeyMBJPXBFJIZMNTM-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.19
Rot. Bonds4

About (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene

(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene (PubChem CID 12584652) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene.

Molecular Properties

Compound Name(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
PubChem CID12584652
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
SMILESC=CCC1(C)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C19H18/c1-3-14-19(2)17(15-10-6-4-7-11-15)18(19)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3
InChIKeyMBJPXBFJIZMNTM-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.19
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 (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene?
The IUPAC name of (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene (CID 12584652) is (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene.
What is the SMILES notation for (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene?
The canonical SMILES for (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene is C=CCC1(C)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene?
The InChIKey is MBJPXBFJIZMNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-3-14-19(2)17(15-10-6-4-7-11-15)18(19)16-12-8-5-9-13-16/h3-13H,1,14H2,2H3.
What are the key properties of (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene?
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene has a molecular weight of 246.35 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene is sourced from PubChem (CID 12584652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).