(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one

C17H18O3 — CID 898478

IUPAC(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccccc1O[C@H](C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18O3/c1-12-8-10-14(11-9-12)17(18)13(2)20-16-7-5-4-6-15(16)19-3/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyQZHLRQRQVQEYGS-CYBMUJFWSA-N
MW270.33 g/mol
LogP3.65
Rot. Bonds5

About (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one

(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one (PubChem CID 898478) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
PubChem CID898478
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one
SMILESCOc1ccccc1O[C@H](C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18O3/c1-12-8-10-14(11-9-12)17(18)13(2)20-16-7-5-4-6-15(16)19-3/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeyQZHLRQRQVQEYGS-CYBMUJFWSA-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-iodophenoxy)-1-(4-methylphenyl)propan-1-one
CID 62034536
1-(4-methylphenyl)-2-(2-methylsulfanylphenoxy)propan-1-one
CID 63647844
1-(4-methylphenyl)-2-(2-prop-1-enylphenoxy)propan-1-one
CID 76999449
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513561
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-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778
1-(4-methylphenyl)-2-(2-prop-2-enylphenoxy)propan-1-one
CID 62034186
2-(2-aminophenoxy)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 46307410
2-(2,5-dimethylphenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 43412278
2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980882
4-methyl-N-[(1R)-2,2,2-tribromo-1-(2-methoxyphenoxy)ethyl]benzamide
CID 1380224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one (CID 898478) is (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one is COc1ccccc1O[C@H](C)C(=O)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
The InChIKey is QZHLRQRQVQEYGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-8-10-14(11-9-12)17(18)13(2)20-16-7-5-4-6-15(16)19-3/h4-11,13H,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one?
(2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)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 (2R)-2-(2-methoxyphenoxy)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 898478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).