1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol

C11H14O2 — CID 165439998

IUPAC1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol
SMILESCc1cccc(C(O)CC2CO2)c1
InChIInChI=1S/C11H14O2/c1-8-3-2-4-9(5-8)11(12)6-10-7-13-10/h2-5,10-12H,6-7H2,1H3
InChIKeyRXJYIQJUOXLHNC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.82
Rot. Bonds3

About 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol

1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol (PubChem CID 165439998) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol
PubChem CID165439998
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol
SMILESCc1cccc(C(O)CC2CO2)c1
InChIInChI=1S/C11H14O2/c1-8-3-2-4-9(5-8)11(12)6-10-7-13-10/h2-5,10-12H,6-7H2,1H3
InChIKeyRXJYIQJUOXLHNC-UHFFFAOYSA-N
XLogP1.82
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.82
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)-3-(oxiran-2-yl)propan-1-ol
CID 165440568
(R)-(3-methylphenyl)-[(2R)-oxiran-2-yl]methanol
CID 130810989
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-ol
CID 82754768
2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol?
The IUPAC name of 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol (CID 165439998) is 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol is Cc1cccc(C(O)CC2CO2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol?
The InChIKey is RXJYIQJUOXLHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-3-2-4-9(5-8)11(12)6-10-7-13-10/h2-5,10-12H,6-7H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol?
1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol has a molecular weight of 178.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(oxiran-2-yl)ethanol is sourced from PubChem (CID 165439998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).