1-(oxiran-2-yl)-2-phenylpropan-2-ol

C11H14O2 — CID 11644018

IUPAC1-(oxiran-2-yl)-2-phenylpropan-2-ol
SMILESCC(O)(CC1CO1)c1ccccc1
InChIInChI=1S/C11H14O2/c1-11(12,7-10-8-13-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChIKeyLYURWUZHHMSOLZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.68
Rot. Bonds3

About 1-(oxiran-2-yl)-2-phenylpropan-2-ol

1-(oxiran-2-yl)-2-phenylpropan-2-ol (PubChem CID 11644018) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(oxiran-2-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(oxiran-2-yl)-2-phenylpropan-2-ol
PubChem CID11644018
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(oxiran-2-yl)-2-phenylpropan-2-ol
SMILESCC(O)(CC1CO1)c1ccccc1
InChIInChI=1S/C11H14O2/c1-11(12,7-10-8-13-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
InChIKeyLYURWUZHHMSOLZ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-(oxiran-2-yl)-1,1-diphenylethanamine
CID 154084026
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
2-methyl-2-(oxiran-2-ylmethyl)-1,3-diphenylpropane-1,3-dione
CID 150172119
2-[3-(oxiran-2-yl)-1,1,2,2-tetraphenylpropyl]oxirane
CID 174690179
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2S)-2,3,3-trimethyl-1-[(2R)-oxiran-2-yl]butan-2-ol
CID 125461857
N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine
CID 141216576
2-(7-cyclopropyl-4-methyl-4-phenylheptyl)oxirane
CID 146482470
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
1-(2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxylic acid
CID 79426271
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123

Frequently Asked Questions

What is the IUPAC name of 1-(oxiran-2-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(oxiran-2-yl)-2-phenylpropan-2-ol (CID 11644018) is 1-(oxiran-2-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(oxiran-2-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(oxiran-2-yl)-2-phenylpropan-2-ol is CC(O)(CC1CO1)c1ccccc1.
What is the InChIKey of 1-(oxiran-2-yl)-2-phenylpropan-2-ol?
The InChIKey is LYURWUZHHMSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(12,7-10-8-13-10)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3.
What are the key properties of 1-(oxiran-2-yl)-2-phenylpropan-2-ol?
1-(oxiran-2-yl)-2-phenylpropan-2-ol has a molecular weight of 178.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 11644018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).