(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone

C17H18O2 — CID 43160127

IUPAC(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18O2/c1-4-19-15-8-6-14(7-9-15)17(18)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3
InChIKeyAQLGSOIPGUFBBE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.93
Rot. Bonds4

About (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone

(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone (PubChem CID 43160127) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
PubChem CID43160127
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C17H18O2/c1-4-19-15-8-6-14(7-9-15)17(18)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3
InChIKeyAQLGSOIPGUFBBE-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
1-[3-(2,2-dimethylpropanoyl)-4-(4-ethoxybenzoyl)phenyl]-2,2-dimethylpropan-1-one
CID 150347658
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
ethyl 2-(4-ethoxy-2-methylphenyl)-2-oxoacetate
CID 82553694
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone (CID 43160127) is (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is AQLGSOIPGUFBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-19-15-8-6-14(7-9-15)17(18)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone?
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 254.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 43160127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).