1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one

C19H16O2 — CID 141321542

IUPAC1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(-c2ccc(C(=O)C=C)cc2C)cc1
InChIInChI=1S/C19H16O2/c1-4-18(20)15-8-6-14(7-9-15)17-11-10-16(12-13(17)3)19(21)5-2/h4-12H,1-2H2,3H3
InChIKeyBIEXDIUGEWCURH-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.40
Rot. Bonds5

About 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one

1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one (PubChem CID 141321542) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
PubChem CID141321542
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccc(-c2ccc(C(=O)C=C)cc2C)cc1
InChIInChI=1S/C19H16O2/c1-4-18(20)15-8-6-14(7-9-15)17-11-10-16(12-13(17)3)19(21)5-2/h4-12H,1-2H2,3H3
InChIKeyBIEXDIUGEWCURH-UHFFFAOYSA-N
XLogP4.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one?
The IUPAC name of 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one (CID 141321542) is 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one is C=CC(=O)c1ccc(-c2ccc(C(=O)C=C)cc2C)cc1.
What is the InChIKey of 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one?
The InChIKey is BIEXDIUGEWCURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-4-18(20)15-8-6-14(7-9-15)17-11-10-16(12-13(17)3)19(21)5-2/h4-12H,1-2H2,3H3.
What are the key properties of 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one?
1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 141321542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).