3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one

C19H20O2 — CID 3441199

IUPAC3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H20O2/c1-13-11-15(3)18(12-14(13)2)19(20)10-7-16-5-8-17(21-4)9-6-16/h5-12H,1-4H3
InChIKeyYOVVUDYRGHKOOO-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.52
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one

3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one (PubChem CID 3441199) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
PubChem CID3441199
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
SMILESCOc1ccc(C=CC(=O)c2cc(C)c(C)cc2C)cc1
InChIInChI=1S/C19H20O2/c1-13-11-15(3)18(12-14(13)2)19(20)10-7-16-5-8-17(21-4)9-6-16/h5-12H,1-4H3
InChIKeyYOVVUDYRGHKOOO-UHFFFAOYSA-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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Related Compounds

(E)-3-(4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359470
3-(3,4,5-trimethoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 2897593
3-(4-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)prop-2-en-1-one
CID 4230109
(E)-1-(4-hydroxy-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 143338501
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6447960
[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
CID 3558585
4-carboxy-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenolate
CID 54710111
(E)-3-(4-methoxyphenyl)-1-[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 6153080
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
(E)-1-(3,5-dibromo-2-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 12680387

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one (CID 3441199) is 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one is COc1ccc(C=CC(=O)c2cc(C)c(C)cc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one?
The InChIKey is YOVVUDYRGHKOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13-11-15(3)18(12-14(13)2)19(20)10-7-16-5-8-17(21-4)9-6-16/h5-12H,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one?
3-(4-methoxyphenyl)-1-(2,4,5-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 3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 3441199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).