1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone

C17H18O2 — CID 70039438

IUPAC1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C17H18O2/c1-12-9-13(2)17(16(10-12)14(3)18)19-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeySTPHHRQDJITCTC-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.09
Rot. Bonds4

About 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone

1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone (PubChem CID 70039438) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
PubChem CID70039438
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C17H18O2/c1-12-9-13(2)17(16(10-12)14(3)18)19-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKeySTPHHRQDJITCTC-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
2,3,5-trimethyl-4-phenylmethoxybenzoyl chloride
CID 59202337
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082
1-(3,4-dichloro-2-phenylmethoxyphenyl)ethanone
CID 14203026
2-(3,5-dimethyl-4-phenylmethoxyphenyl)propanoic acid
CID 117457924
2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol
CID 58819703

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone (CID 70039438) is 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone is CC(=O)c1cc(C)cc(C)c1OCc1ccccc1.
What is the InChIKey of 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone?
The InChIKey is STPHHRQDJITCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-9-13(2)17(16(10-12)14(3)18)19-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3.
What are the key properties of 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone?
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 70039438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).