1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one

C17H18O3 — CID 43413172

IUPAC1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C17H18O3/c1-12-6-4-5-7-16(12)20-13(2)17(18)14-8-10-15(19-3)11-9-14/h4-11,13H,1-3H3
InChIKeyFTSFUQDNAVJOOM-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one

1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one (PubChem CID 43413172) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
PubChem CID43413172
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C17H18O3/c1-12-6-4-5-7-16(12)20-13(2)17(18)14-8-10-15(19-3)11-9-14/h4-11,13H,1-3H3
InChIKeyFTSFUQDNAVJOOM-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
CID 2571565
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 898478
2-(2-bromo-4-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
CID 104708077
N-[3-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-2-methylbenzamide
CID 5065918
4-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7503349
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
(2S)-2-(2-methylphenoxy)propanoate
CID 6957172
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
2-(2-chloro-4-fluorophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 60624535

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one (CID 43413172) is 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one is COc1ccc(C(=O)C(C)Oc2ccccc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one?
The InChIKey is FTSFUQDNAVJOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-6-4-5-7-16(12)20-13(2)17(18)14-8-10-15(19-3)11-9-14/h4-11,13H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one?
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one is sourced from PubChem (CID 43413172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).