[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol

C17H18O3 — CID 141365538

IUPAC[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol
SMILESCOc1ccc(C2O[C@@]2(CO)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O3/c1-12-3-7-14(8-4-12)17(11-18)16(20-17)13-5-9-15(19-2)10-6-13/h3-10,16,18H,11H2,1-2H3/t16?,17-/m0/s1
InChIKeyQHPJTNAJUPUTMC-DJNXLDHESA-N
MW270.33 g/mol
LogP2.96
Rot. Bonds4

About [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol

[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol (PubChem CID 141365538) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol
PubChem CID141365538
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol
SMILESCOc1ccc(C2O[C@@]2(CO)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18O3/c1-12-3-7-14(8-4-12)17(11-18)16(20-17)13-5-9-15(19-2)10-6-13/h3-10,16,18H,11H2,1-2H3/t16?,17-/m0/s1
InChIKeyQHPJTNAJUPUTMC-DJNXLDHESA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-methylbenzene;propane
CID 142064987
[(3S,4R)-3-(4-methoxyphenyl)-4-phenyl-2-(2-phenylpropan-2-yl)oxazetidin-4-yl]methanol
CID 101407263
ethyl (2S,3R)-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
CID 11264847
ethyl (2S,3R)-2-ethyl-3-(4-methoxyphenyl)oxirane-2-carboxylate
CID 793344
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 121001967
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
4-methoxyphenol;4-methylphenol
CID 158312507
2,3,3,4,5,5-hexafluoro-2,4,6-tris(4-methoxyphenyl)oxane
CID 175398131
1-methoxy-4-methylbenzene;phenol
CID 167630836
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol (CID 141365538) is [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol is COc1ccc(C2O[C@@]2(CO)c2ccc(C)cc2)cc1.
What is the InChIKey of [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol?
The InChIKey is QHPJTNAJUPUTMC-DJNXLDHESA-N. The full InChI is InChI=1S/C17H18O3/c1-12-3-7-14(8-4-12)17(11-18)16(20-17)13-5-9-15(19-2)10-6-13/h3-10,16,18H,11H2,1-2H3/t16?,17-/m0/s1.
What are the key properties of [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol?
[(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol has a molecular weight of 270.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 141365538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).