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

C19H20O — CID 18292568

IUPAC(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
SMILESCc1cc(C)c(/C=C/C(=O)c2ccccc2C)cc1C
InChIInChI=1S/C19H20O/c1-13-7-5-6-8-18(13)19(20)10-9-17-12-15(3)14(2)11-16(17)4/h5-12H,1-4H3/b10-9+
InChIKeyVGUVQWPVEHZBKF-MDZDMXLPSA-N
MW264.37 g/mol
LogP4.82
Rot. Bonds3

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

(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one (PubChem CID 18292568) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
PubChem CID18292568
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
SMILESCc1cc(C)c(/C=C/C(=O)c2ccccc2C)cc1C
InChIInChI=1S/C19H20O/c1-13-7-5-6-8-18(13)19(20)10-9-17-12-15(3)14(2)11-16(17)4/h5-12H,1-4H3/b10-9+
InChIKeyVGUVQWPVEHZBKF-MDZDMXLPSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
(E)-3-(2,4-dimethoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448321
3-(2,3-dichlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 4851047
(E)-1-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 9448324
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 116605809
(E)-3-(4-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359486
(E)-3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359479
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448318
(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9033187

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one (CID 18292568) is (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one is Cc1cc(C)c(/C=C/C(=O)c2ccccc2C)cc1C.
What is the InChIKey of (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one?
The InChIKey is VGUVQWPVEHZBKF-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20O/c1-13-7-5-6-8-18(13)19(20)10-9-17-12-15(3)14(2)11-16(17)4/h5-12H,1-4H3/b10-9+.
What are the key properties of (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one?
(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one has a molecular weight of 264.37 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 18292568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).