1-(3-methyl-5-phenylmethoxyphenyl)ethanone

C16H16O2 — CID 67988335

IUPAC1-(3-methyl-5-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1cc(C)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12-8-15(13(2)17)10-16(9-12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyOGQJYZJCHQLKLA-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-methyl-5-phenylmethoxyphenyl)ethanone

1-(3-methyl-5-phenylmethoxyphenyl)ethanone (PubChem CID 67988335) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3-methyl-5-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-5-phenylmethoxyphenyl)ethanone
PubChem CID67988335
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(3-methyl-5-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1cc(C)cc(OCc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-12-8-15(13(2)17)10-16(9-12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyOGQJYZJCHQLKLA-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
3,5-bis(phenylmethoxy)benzoate
CID 6986896
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
methyl 3-(hydroxymethyl)-5-phenylmethoxybenzoate
CID 24813623
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
CID 142197494
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
ethane;3-fluoro-5-phenylmethoxybenzoic acid
CID 144722944

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(3-methyl-5-phenylmethoxyphenyl)ethanone (CID 67988335) is 1-(3-methyl-5-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-methyl-5-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(3-methyl-5-phenylmethoxyphenyl)ethanone is CC(=O)c1cc(C)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-(3-methyl-5-phenylmethoxyphenyl)ethanone?
The InChIKey is OGQJYZJCHQLKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-8-15(13(2)17)10-16(9-12)18-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-(3-methyl-5-phenylmethoxyphenyl)ethanone?
1-(3-methyl-5-phenylmethoxyphenyl)ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 67988335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).