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

C10H12O2 — CID 54327905

IUPAC[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol
SMILESCc1cccc([C@H]2O[C@@H]2CO)c1
InChIInChI=1S/C10H12O2/c1-7-3-2-4-8(5-7)10-9(6-11)12-10/h2-5,9-11H,6H2,1H3/t9-,10-/m1/s1
InChIKeySWGFEEOVOVYCSV-NXEZZACHSA-N
MW164.20 g/mol
LogP1.43
Rot. Bonds2

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

[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol (PubChem CID 54327905) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol
PubChem CID54327905
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol
SMILESCc1cccc([C@H]2O[C@@H]2CO)c1
InChIInChI=1S/C10H12O2/c1-7-3-2-4-8(5-7)10-9(6-11)12-10/h2-5,9-11H,6H2,1H3/t9-,10-/m1/s1
InChIKeySWGFEEOVOVYCSV-NXEZZACHSA-N
XLogP1.43
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-6-(3-methylphenyl)oxane-3,4,5-triol
CID 123471125
2-methyl-3-(3-methylphenyl)oxirane
CID 72951776
3-(3-methylphenyl)oxirane-2-carboxylic acid
CID 53256654
[3-methyl-2-(3-methylphenyl)-1,3-oxazolidin-5-yl]methanol
CID 82112971
[2,2-dimethyl-3-(3-methylphenyl)cyclopropyl]methanol
CID 130488853
[(2S,3R)-3-(4-fluorophenyl)oxiran-2-yl]methanol
CID 119084986
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-methylphenoxy)oxane-2,4,5-triol
CID 21128476
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(3-methylanilino)oxane-3,4,5-triol
CID 131865322
(2S,3S)-2-diethoxyphosphoryl-3-(3-methylphenyl)oxirane
CID 101084246
[4-[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl]phenyl] 4-methylbenzenesulfonate
CID 54756706

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol (CID 54327905) is [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol is Cc1cccc([C@H]2O[C@@H]2CO)c1.
What is the InChIKey of [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol?
The InChIKey is SWGFEEOVOVYCSV-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-3-2-4-8(5-7)10-9(6-11)12-10/h2-5,9-11H,6H2,1H3/t9-,10-/m1/s1.
What are the key properties of [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol?
[(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol has a molecular weight of 164.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(3-methylphenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 54327905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).