2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone

C18H20O2 — CID 43412276

IUPAC2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H20O2/c1-12-6-8-16(15(4)9-12)17(19)11-20-18-10-13(2)5-7-14(18)3/h5-10H,11H2,1-4H3
InChIKeyCVIJEKXIDNDBGT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.18
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone

2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone (PubChem CID 43412276) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
PubChem CID43412276
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C18H20O2/c1-12-6-8-16(15(4)9-12)17(19)11-20-18-10-13(2)5-7-14(18)3/h5-10H,11H2,1-4H3
InChIKeyCVIJEKXIDNDBGT-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenoxy)ethanone
CID 43220072
5-bromo-2-[2-(2,4-dimethylphenyl)-2-oxoethoxy]benzonitrile
CID 83136314
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
CID 60626805
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone (CID 43412276) is 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COc2cc(C)ccc2C)c(C)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is CVIJEKXIDNDBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-6-8-16(15(4)9-12)17(19)11-20-18-10-13(2)5-7-14(18)3/h5-10H,11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone?
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 43412276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).