1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone

C17H18O2 — CID 59067571

IUPAC1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccc(C)cc2C)ccc1C
InChIInChI=1S/C17H18O2/c1-11-5-8-17(13(3)9-11)19-15-7-6-12(2)16(10-15)14(4)18/h5-10H,1-4H3
InChIKeyISAPNUYJZSHUFC-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.61
Rot. Bonds3

About 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone

1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone (PubChem CID 59067571) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
PubChem CID59067571
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccc(C)cc2C)ccc1C
InChIInChI=1S/C17H18O2/c1-11-5-8-17(13(3)9-11)19-15-7-6-12(2)16(10-15)14(4)18/h5-10H,1-4H3
InChIKeyISAPNUYJZSHUFC-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-dimethylphenoxy)phenyl]ethanone
CID 14797515
2-bromo-4-(2,4-dimethylphenoxy)benzoic acid
CID 107282422
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311
1-[4-(2,5-dimethylphenoxy)-2-nitrophenyl]ethanone
CID 104529803
carbon monoxide;2,4-dimethyl-1-(4-methylphenoxy)benzene
CID 91264614
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907
1-[5-(4-bromo-2-methylphenoxy)-2-nitrophenyl]ethanone
CID 104613841
2-(3-acetyl-4-methylphenoxy)-3,6-dimethylbenzonitrile
CID 166168641
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
CID 177024658
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
CID 81273209

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone?
The IUPAC name of 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone (CID 59067571) is 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone is CC(=O)c1cc(Oc2ccc(C)cc2C)ccc1C.
What is the InChIKey of 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone?
The InChIKey is ISAPNUYJZSHUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-5-8-17(13(3)9-11)19-15-7-6-12(2)16(10-15)14(4)18/h5-10H,1-4H3.
What are the key properties of 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone?
1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone is sourced from PubChem (CID 59067571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).