1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone

C19H22O — CID 145366000

IUPAC1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1cc(Cc2ccc(C)cc2)c(C)c(C)c1C
InChIInChI=1S/C19H22O/c1-12-6-8-17(9-7-12)10-18-11-19(16(5)20)15(4)13(2)14(18)3/h6-9,11H,10H2,1-5H3
InChIKeyRQEMTBWXBQDWTB-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.71
Rot. Bonds3

About 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone

1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone (PubChem CID 145366000) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone
PubChem CID145366000
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone
SMILESCC(=O)c1cc(Cc2ccc(C)cc2)c(C)c(C)c1C
InChIInChI=1S/C19H22O/c1-12-6-8-17(9-7-12)10-18-11-19(16(5)20)15(4)13(2)14(18)3/h6-9,11H,10H2,1-5H3
InChIKeyRQEMTBWXBQDWTB-UHFFFAOYSA-N
XLogP4.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-bis[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid
CID 22269445
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404
1-(2,4-dibenzylphenyl)ethanone
CID 70182248
1-[3-[(4-methylphenyl)methyl]phenyl]propan-2-one
CID 163630604
2-[(4-methylphenyl)methyl]benzoate
CID 7039635
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-[(4-methylphenyl)methyl]benzene
CID 22892261
1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene
CID 174009855
N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
4-[(2,4-dimethylphenyl)methyl]benzoic acid
CID 116927178
1-(3,4,5-trifluoro-2-methylphenyl)ethanone
CID 20552321
methyl 2-ethenyl-5-[(4-methoxyphenyl)methyl]-3,4-dimethylbenzoate
CID 118468109
[4-[(2-chloro-5-methylphenyl)methyl]phenyl] acetate
CID 123825546

Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone?
The IUPAC name of 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone (CID 145366000) is 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone is CC(=O)c1cc(Cc2ccc(C)cc2)c(C)c(C)c1C.
What is the InChIKey of 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone?
The InChIKey is RQEMTBWXBQDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-12-6-8-17(9-7-12)10-18-11-19(16(5)20)15(4)13(2)14(18)3/h6-9,11H,10H2,1-5H3.
What are the key properties of 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone?
1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone has a molecular weight of 266.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4-trimethyl-5-[(4-methylphenyl)methyl]phenyl]ethanone is sourced from PubChem (CID 145366000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).