1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol

C12H15FO3 — CID 103547351

IUPAC1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1)CC1OCCO1
InChIInChI=1S/C12H15FO3/c13-10-3-1-9(2-4-10)7-11(14)8-12-15-5-6-16-12/h1-4,11-12,14H,5-8H2
InChIKeyQMMZQLFQRAVVLE-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.49
Rot. Bonds4

About 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol

1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol (PubChem CID 103547351) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
PubChem CID103547351
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1)CC1OCCO1
InChIInChI=1S/C12H15FO3/c13-10-3-1-9(2-4-10)7-11(14)8-12-15-5-6-16-12/h1-4,11-12,14H,5-8H2
InChIKeyQMMZQLFQRAVVLE-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547417
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-(4-fluorophenyl)-3-(4-iodophenyl)propan-2-ol
CID 65477274
1-(4-bromophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 60798546
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
3-(4-fluorophenyl)-2-hydroxypropane-1-sulfonyl fluoride
CID 115041325
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62606205
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
1-(1,3-dioxolan-2-yl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 103546450

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol (CID 103547351) is 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol is OC(Cc1ccc(F)cc1)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol?
The InChIKey is QMMZQLFQRAVVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c13-10-3-1-9(2-4-10)7-11(14)8-12-15-5-6-16-12/h1-4,11-12,14H,5-8H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol?
1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol has a molecular weight of 226.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 103547351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).