1-(2-methylphenyl)peroxypropan-2-ol

C10H14O3 — CID 54138716

IUPAC1-(2-methylphenyl)peroxypropan-2-ol
SMILESCc1ccccc1OOCC(C)O
InChIInChI=1S/C10H14O3/c1-8-5-3-4-6-10(8)13-12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKeyFDJZAEWYZLYIKB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.69
Rot. Bonds4

About 1-(2-methylphenyl)peroxypropan-2-ol

1-(2-methylphenyl)peroxypropan-2-ol (PubChem CID 54138716) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-methylphenyl)peroxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)peroxypropan-2-ol
PubChem CID54138716
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name1-(2-methylphenyl)peroxypropan-2-ol
SMILESCc1ccccc1OOCC(C)O
InChIInChI=1S/C10H14O3/c1-8-5-3-4-6-10(8)13-12-7-9(2)11/h3-6,9,11H,7H2,1-2H3
InChIKeyFDJZAEWYZLYIKB-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242351
1-[2-(2-hydroxypropoxy)-3-methylphenoxy]propan-2-ol
CID 139797710
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
2-[(2-methylphenyl)peroxymethyl]oxirane
CID 23529975
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
[3-hydroxy-1-(2-methylphenoxy)butan-2-yl] 2-hydroxyacetate
CID 58519921
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242353
4-[methyl-[2-(2-methylphenoxy)ethyl]amino]butan-2-ol
CID 111488563
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)peroxypropan-2-ol?
The IUPAC name of 1-(2-methylphenyl)peroxypropan-2-ol (CID 54138716) is 1-(2-methylphenyl)peroxypropan-2-ol.
What is the SMILES notation for 1-(2-methylphenyl)peroxypropan-2-ol?
The canonical SMILES for 1-(2-methylphenyl)peroxypropan-2-ol is Cc1ccccc1OOCC(C)O.
What is the InChIKey of 1-(2-methylphenyl)peroxypropan-2-ol?
The InChIKey is FDJZAEWYZLYIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8-5-3-4-6-10(8)13-12-7-9(2)11/h3-6,9,11H,7H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)peroxypropan-2-ol?
1-(2-methylphenyl)peroxypropan-2-ol has a molecular weight of 182.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)peroxypropan-2-ol is sourced from PubChem (CID 54138716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).