1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone

C17H18O2 — CID 148749091

IUPAC1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
SMILESCCOc1cccc(-c2cc(C(C)=O)ccc2C)c1
InChIInChI=1S/C17H18O2/c1-4-19-16-7-5-6-15(10-16)17-11-14(13(3)18)9-8-12(17)2/h5-11H,4H2,1-3H3
InChIKeyOEIJSYXMSUWWFZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.26
Rot. Bonds4

About 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone

1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone (PubChem CID 148749091) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
PubChem CID148749091
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
SMILESCCOc1cccc(-c2cc(C(C)=O)ccc2C)c1
InChIInChI=1S/C17H18O2/c1-4-19-16-7-5-6-15(10-16)17-11-14(13(3)18)9-8-12(17)2/h5-11H,4H2,1-3H3
InChIKeyOEIJSYXMSUWWFZ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 62771715
3-[3-(2,5-dimethylphenyl)phenoxy]propanoic acid
CID 39369428
1-[4-[4-[[2-(3-ethoxyphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethanone
CID 171442940
1-(3,8-dimethylazulen-5-yl)ethanone
CID 15109166
4-(3-ethoxyphenyl)-3-methylbenzaldehyde
CID 81448039
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
2-[3-(2-methylphenyl)phenoxy]acetic acid
CID 39346407
1-[4-[2-(3-ethoxyphenoxy)ethylsulfanyl]phenyl]ethanone
CID 94780515

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone?
The IUPAC name of 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone (CID 148749091) is 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone is CCOc1cccc(-c2cc(C(C)=O)ccc2C)c1.
What is the InChIKey of 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone?
The InChIKey is OEIJSYXMSUWWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-19-16-7-5-6-15(10-16)17-11-14(13(3)18)9-8-12(17)2/h5-11H,4H2,1-3H3.
What are the key properties of 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone?
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone is sourced from PubChem (CID 148749091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).