2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one

C18H20O3 — CID 43412278

IUPAC2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20O3/c1-12-5-6-13(2)17(11-12)21-14(3)18(19)15-7-9-16(20-4)10-8-15/h5-11,14H,1-4H3
InChIKeyZGMKATRHBKYSJI-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.96
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one

2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 43412278) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
PubChem CID43412278
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20O3/c1-12-5-6-13(2)17(11-12)21-14(3)18(19)15-7-9-16(20-4)10-8-15/h5-11,14H,1-4H3
InChIKeyZGMKATRHBKYSJI-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 104708077
2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 60624535
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
2-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64854262
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
1-(4-chlorophenyl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 43411892
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839402
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 2-(2,5-dimethylphenoxy)propanoate
CID 53266948
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43412325

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one (CID 43412278) is 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Oc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is ZGMKATRHBKYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-6-13(2)17(11-12)21-14(3)18(19)15-7-9-16(20-4)10-8-15/h5-11,14H,1-4H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one?
2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 284.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43412278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).