3-phenyloxetan-3-ol

C9H10O2 — CID 12699448

IUPAC3-phenyloxetan-3-ol
SMILESOC1(c2ccccc2)COC1
InChIInChI=1S/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyBHAIDFCOUGGIRI-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.90
Rot. Bonds1

About 3-phenyloxetan-3-ol

3-phenyloxetan-3-ol (PubChem CID 12699448) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-phenyloxetan-3-ol.

Molecular Properties

Compound Name3-phenyloxetan-3-ol
PubChem CID12699448
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-phenyloxetan-3-ol
SMILESOC1(c2ccccc2)COC1
InChIInChI=1S/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyBHAIDFCOUGGIRI-UHFFFAOYSA-N
XLogP0.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-propanol
CID 12053
Fenipentol
CID 3338
1-Phenyl-1,2-ethanediol
CID 7149
p-Cymen-8-ol
CID 14529
Hydroxyphenamate
CID 5752
1,2-Benzenedimethanol
CID 69153
1-Phenylcyclohexanol
CID 15319
Hydrobenzoin
CID 95447
1,1-Diphenylethanol
CID 69031
(R,R)-Hydrobenzoin
CID 853019
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
1-Phenylbut-3-en-1-ol
CID 220119

Frequently Asked Questions

What is the IUPAC name of 3-phenyloxetan-3-ol?
The IUPAC name of 3-phenyloxetan-3-ol (CID 12699448) is 3-phenyloxetan-3-ol.
What is the SMILES notation for 3-phenyloxetan-3-ol?
The canonical SMILES for 3-phenyloxetan-3-ol is OC1(c2ccccc2)COC1.
What is the InChIKey of 3-phenyloxetan-3-ol?
The InChIKey is BHAIDFCOUGGIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of 3-phenyloxetan-3-ol?
3-phenyloxetan-3-ol has a molecular weight of 150.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxetan-3-ol is sourced from PubChem (CID 12699448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).