(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one

C19H20O2 — CID 6383391

IUPAC(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H20O2/c1-13-11-14(2)19(15(3)12-13)18(20)10-7-16-5-8-17(21-4)9-6-16/h5-12H,1-4H3/b10-7+
InChIKeyGICYCDYLWNGKTP-JXMROGBWSA-N
MW280.37 g/mol
LogP4.52
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one

(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one (PubChem CID 6383391) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
PubChem CID6383391
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C19H20O2/c1-13-11-14(2)19(15(3)12-13)18(20)10-7-16-5-8-17(21-4)9-6-16/h5-12H,1-4H3/b10-7+
InChIKeyGICYCDYLWNGKTP-JXMROGBWSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.52
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 (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one (CID 6383391) is (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one?
The InChIKey is GICYCDYLWNGKTP-JXMROGBWSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-11-14(2)19(15(3)12-13)18(20)10-7-16-5-8-17(21-4)9-6-16/h5-12H,1-4H3/b10-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one?
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 6383391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).