2-phenyl-1,3-dioxolan-4-ol

C9H10O3 — CID 23288237

IUPAC2-phenyl-1,3-dioxolan-4-ol
SMILESOC1COC(c2ccccc2)O1
InChIInChI=1S/C9H10O3/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyWKQCDWZOOHBQGZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.05
Rot. Bonds1

About 2-phenyl-1,3-dioxolan-4-ol

2-phenyl-1,3-dioxolan-4-ol (PubChem CID 23288237) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-phenyl-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name2-phenyl-1,3-dioxolan-4-ol
PubChem CID23288237
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-phenyl-1,3-dioxolan-4-ol
SMILESOC1COC(c2ccccc2)O1
InChIInChI=1S/C9H10O3/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyWKQCDWZOOHBQGZ-UHFFFAOYSA-N
XLogP1.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
(1R,6R,8S)-10-phenyl-5,9,11-trioxatricyclo[6.4.0.02,6]dodecan-4-ol
CID 130283147
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 45050715
(2S,4aR,7S,8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 97267898
(7S,8R)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
CID 44514113
(2S,4aR,7R,7aR)-7-hydroxy-2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 11207085
(2R,4aS,7R,7aS)-7-hydroxy-2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 24858466

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dioxolan-4-ol?
The IUPAC name of 2-phenyl-1,3-dioxolan-4-ol (CID 23288237) is 2-phenyl-1,3-dioxolan-4-ol.
What is the SMILES notation for 2-phenyl-1,3-dioxolan-4-ol?
The canonical SMILES for 2-phenyl-1,3-dioxolan-4-ol is OC1COC(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-1,3-dioxolan-4-ol?
The InChIKey is WKQCDWZOOHBQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-6-11-9(12-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2.
What are the key properties of 2-phenyl-1,3-dioxolan-4-ol?
2-phenyl-1,3-dioxolan-4-ol has a molecular weight of 166.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dioxolan-4-ol is sourced from PubChem (CID 23288237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).