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

C10H12O2 — CID 130810989

IUPAC(R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol
SMILESCc1cccc([C@@H](O)[C@H]2CO2)c1
InChIInChI=1S/C10H12O2/c1-7-3-2-4-8(5-7)10(11)9-6-12-9/h2-5,9-11H,6H2,1H3/t9-,10-/m1/s1
InChIKeyDLENEVRGPWYKBB-NXEZZACHSA-N
MW164.20 g/mol
LogP1.43
Rot. Bonds2

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

(R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol (PubChem CID 130810989) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol.

Molecular Properties

Compound Name(R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol
PubChem CID130810989
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol
SMILESCc1cccc([C@@H](O)[C@H]2CO2)c1
InChIInChI=1S/C10H12O2/c1-7-3-2-4-8(5-7)10(11)9-6-12-9/h2-5,9-11H,6H2,1H3/t9-,10-/m1/s1
InChIKeyDLENEVRGPWYKBB-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

1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol
CID 165439998
1-(3-methylphenyl)-3-(oxiran-2-yl)propan-1-ol
CID 165440568
(4-tert-butylcyclohexyl)-(3-methylphenyl)methanol
CID 65400122
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
CID 162391391
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
(S)-[3-(cyclohexylmethoxy)phenyl]-[(2R)-oxiran-2-yl]methanol
CID 87354283
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
(4-butylcyclohexyl)-(3-methylphenyl)methanol
CID 114978020
2-cyclopropyl-2-(3-methylphenyl)ethanol
CID 104819581
(2S)-2-hydroxy-2-(3-methylphenyl)acetonitrile
CID 12717592

Frequently Asked Questions

What is the IUPAC name of (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol?
The IUPAC name of (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol (CID 130810989) is (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol.
What is the SMILES notation for (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol?
The canonical SMILES for (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol is Cc1cccc([C@@H](O)[C@H]2CO2)c1.
What is the InChIKey of (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol?
The InChIKey is DLENEVRGPWYKBB-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-3-2-4-8(5-7)10(11)9-6-12-9/h2-5,9-11H,6H2,1H3/t9-,10-/m1/s1.
What are the key properties of (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol?
(R)-(3-methylphenyl)-[(2R)-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 (R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol is sourced from PubChem (CID 130810989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).