2-methylbenzamide;oxiran-2-ylmethanol

C11H15NO3 — CID 174432079

IUPAC2-methylbenzamide;oxiran-2-ylmethanol
SMILESCc1ccccc1C(N)=O.OCC1CO1
InChIInChI=1S/C8H9NO.C3H6O2/c1-6-4-2-3-5-7(6)8(9)10;4-1-3-2-5-3/h2-5H,1H3,(H2,9,10);3-4H,1-2H2
InChIKeyPJMBFQRPCOBBMD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.47
Rot. Bonds2

About 2-methylbenzamide;oxiran-2-ylmethanol

2-methylbenzamide;oxiran-2-ylmethanol (PubChem CID 174432079) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methylbenzamide;oxiran-2-ylmethanol.

Molecular Properties

Compound Name2-methylbenzamide;oxiran-2-ylmethanol
PubChem CID174432079
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-methylbenzamide;oxiran-2-ylmethanol
SMILESCc1ccccc1C(N)=O.OCC1CO1
InChIInChI=1S/C8H9NO.C3H6O2/c1-6-4-2-3-5-7(6)8(9)10;4-1-3-2-5-3/h2-5H,1H3,(H2,9,10);3-4H,1-2H2
InChIKeyPJMBFQRPCOBBMD-UHFFFAOYSA-N
XLogP0.47
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethyl 2-methylbenzoate
CID 18622411
2-methylbenzamide;molecular hydrogen
CID 177161283
2-methylbenzene-1,3-dicarboxylic acid;oxiran-2-ylmethanol
CID 161273560
2-methylbenzamide;phenol
CID 160508327
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-[1,3-bis(oxiran-2-yl)-2-(oxiran-2-ylmethyl)propan-2-yl]-1,3-bis(2-methylphenyl)-2-(oxiran-2-ylmethyl)propane-1,3-dione
CID 175347135
2-[(2-methylphenyl)methoxy]benzamide
CID 7642222
[(3S,3aR,6R,6aR)-6-(2-methylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylbenzoate
CID 167745304
bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxycarbonyl)phenyl]benzoate
CID 22600264
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzamide;oxiran-2-ylmethanol?
The IUPAC name of 2-methylbenzamide;oxiran-2-ylmethanol (CID 174432079) is 2-methylbenzamide;oxiran-2-ylmethanol.
What is the SMILES notation for 2-methylbenzamide;oxiran-2-ylmethanol?
The canonical SMILES for 2-methylbenzamide;oxiran-2-ylmethanol is Cc1ccccc1C(N)=O.OCC1CO1.
What is the InChIKey of 2-methylbenzamide;oxiran-2-ylmethanol?
The InChIKey is PJMBFQRPCOBBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C3H6O2/c1-6-4-2-3-5-7(6)8(9)10;4-1-3-2-5-3/h2-5H,1H3,(H2,9,10);3-4H,1-2H2.
What are the key properties of 2-methylbenzamide;oxiran-2-ylmethanol?
2-methylbenzamide;oxiran-2-ylmethanol has a molecular weight of 209.25 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzamide;oxiran-2-ylmethanol is sourced from PubChem (CID 174432079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).