1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone

C17H18O2 — CID 20716256

IUPAC1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
SMILESCCOc1ccc(-c2ccc(C(C)=O)c(C)c2)cc1
InChIInChI=1S/C17H18O2/c1-4-19-16-8-5-14(6-9-16)15-7-10-17(13(3)18)12(2)11-15/h5-11H,4H2,1-3H3
InChIKeyAUPKQHAGFBGXHH-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone

1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone (PubChem CID 20716256) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
PubChem CID20716256
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone
SMILESCCOc1ccc(-c2ccc(C(C)=O)c(C)c2)cc1
InChIInChI=1S/C17H18O2/c1-4-19-16-8-5-14(6-9-16)15-7-10-17(13(3)18)12(2)11-15/h5-11H,4H2,1-3H3
InChIKeyAUPKQHAGFBGXHH-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-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
4-(4-ethoxyphenyl)benzamide
CID 163572533
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
ethyl 2-(4-ethoxy-2-methylphenyl)-2-oxoacetate
CID 82553694
ethyl 4-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162649952
1-[4-(3-bromopropoxy)-2-methylphenyl]ethanone
CID 11777949
4-(4-ethoxyphenyl)benzenesulfonic acid
CID 87969611
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone (CID 20716256) is 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone is CCOc1ccc(-c2ccc(C(C)=O)c(C)c2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone?
The InChIKey is AUPKQHAGFBGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-19-16-8-5-14(6-9-16)15-7-10-17(13(3)18)12(2)11-15/h5-11H,4H2,1-3H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone?
1-[4-(4-ethoxyphenyl)-2-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-[4-(4-ethoxyphenyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 20716256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).