1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone

C20H22O2 — CID 144776022

IUPAC1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(OC/C(C)=C/c2ccccc2C)c1
InChIInChI=1S/C20H22O2/c1-14(11-18-8-6-5-7-15(18)2)13-22-20-12-19(17(4)21)10-9-16(20)3/h5-12H,13H2,1-4H3/b14-11+
InChIKeyPHYSNPXLNUDNEQ-SDNWHVSQSA-N
MW294.39 g/mol
LogP4.99
Rot. Bonds5

About 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone

1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone (PubChem CID 144776022) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone
PubChem CID144776022
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)c(OC/C(C)=C/c2ccccc2C)c1
InChIInChI=1S/C20H22O2/c1-14(11-18-8-6-5-7-15(18)2)13-22-20-12-19(17(4)21)10-9-16(20)3/h5-12H,13H2,1-4H3/b14-11+
InChIKeyPHYSNPXLNUDNEQ-SDNWHVSQSA-N
XLogP4.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-3-chloro-2-methylprop-1-enyl]-2-methylbenzene
CID 131387958
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
methyl (E)-2-[(2-cyanophenoxy)methyl]-3-(2-methylphenyl)prop-2-enoate
CID 175667840
1-[4-[(2-methylphenoxy)methyl]phenyl]ethanone
CID 20716241
2-(4-acetyl-2-methoxyphenoxy)-1-phenylethanone
CID 60627046
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
3-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-4-methylbenzoic acid
CID 60702563
1-[3-(3-chloroprop-1-enyl)-4-methylphenyl]ethanone
CID 169477614
1-(3-chloro-4-hydroxyphenyl)ethanone;1-methyl-2-propoxybenzene
CID 143586421
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90549535
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
CID 82117522

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone (CID 144776022) is 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone is CC(=O)c1ccc(C)c(OC/C(C)=C/c2ccccc2C)c1.
What is the InChIKey of 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone?
The InChIKey is PHYSNPXLNUDNEQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C20H22O2/c1-14(11-18-8-6-5-7-15(18)2)13-22-20-12-19(17(4)21)10-9-16(20)3/h5-12H,13H2,1-4H3/b14-11+.
What are the key properties of 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone?
1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone has a molecular weight of 294.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-[(E)-2-methyl-3-(2-methylphenyl)prop-2-enoxy]phenyl]ethanone is sourced from PubChem (CID 144776022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).