1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone

C18H20O2 — CID 118967399

IUPAC1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1COc1cc(C)c(C)cc1C
InChIInChI=1S/C18H20O2/c1-12-9-14(3)18(10-13(12)2)20-11-16-7-5-6-8-17(16)15(4)19/h5-10H,11H2,1-4H3
InChIKeyRVIACBKHYYJIIF-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.39
Rot. Bonds4

About 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone

1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone (PubChem CID 118967399) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone
PubChem CID118967399
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1COc1cc(C)c(C)cc1C
InChIInChI=1S/C18H20O2/c1-12-9-14(3)18(10-13(12)2)20-11-16-7-5-6-8-17(16)15(4)19/h5-10H,11H2,1-4H3
InChIKeyRVIACBKHYYJIIF-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
CID 129039360
[2-[(2,4,5-trimethylphenoxy)methyl]phenyl] methylsulfanylformate
CID 122646282
3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride
CID 121367485
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride
CID 19755755
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051
[3-(sulfanylmethyl)-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] acetate
CID 122646332
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]acetate
CID 126588250
N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide
CID 118244206
4-[2-[(4-acetyl-2,5-dimethylphenoxy)methyl]phenyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 142049936

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone (CID 118967399) is 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone is CC(=O)c1ccccc1COc1cc(C)c(C)cc1C.
What is the InChIKey of 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone?
The InChIKey is RVIACBKHYYJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-9-14(3)18(10-13(12)2)20-11-16-7-5-6-8-17(16)15(4)19/h5-10H,11H2,1-4H3.
What are the key properties of 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone?
1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone is sourced from PubChem (CID 118967399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).