1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one

C17H18O3 — CID 115994697

IUPAC1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1ccc(C)cc1OC
InChIInChI=1S/C17H18O3/c1-4-14(18)13-7-5-6-8-15(13)20-16-10-9-12(2)11-17(16)19-3/h5-11H,4H2,1-3H3
InChIKeyCGACISGXQULONJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one

1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one (PubChem CID 115994697) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
PubChem CID115994697
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1Oc1ccc(C)cc1OC
InChIInChI=1S/C17H18O3/c1-4-14(18)13-7-5-6-8-15(13)20-16-10-9-12(2)11-17(16)19-3/h5-11H,4H2,1-3H3
InChIKeyCGACISGXQULONJ-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
1-[2-[4-(2-methoxy-4-methylphenoxy)butoxy]phenyl]ethanone
CID 2899242
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684
(2-methoxy-4-methylphenyl) 2-ethylbenzoate
CID 176892654
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-one
CID 115939078
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-one
CID 115994681
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-one
CID 112677577

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one (CID 115994697) is 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one is CCC(=O)c1ccccc1Oc1ccc(C)cc1OC.
What is the InChIKey of 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one?
The InChIKey is CGACISGXQULONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-4-14(18)13-7-5-6-8-15(13)20-16-10-9-12(2)11-17(16)19-3/h5-11H,4H2,1-3H3.
What are the key properties of 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one?
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one has a molecular weight of 270.33 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one is sourced from PubChem (CID 115994697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).