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

C12H14BrFO3 — CID 103547417

IUPAC1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Br)CC1OCCO1
InChIInChI=1S/C12H14BrFO3/c13-11-6-9(14)2-1-8(11)5-10(15)7-12-16-3-4-17-12/h1-2,6,10,12,15H,3-5,7H2
InChIKeyZFPKIABCGIICHA-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.25
Rot. Bonds4

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

1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol (PubChem CID 103547417) has the molecular formula C12H14BrFO3 and a molecular weight of 305.14 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
PubChem CID103547417
Molecular FormulaC12H14BrFO3
Molecular Weight305.14 g/mol
Exact Mass304.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
SMILESOC(Cc1ccc(F)cc1Br)CC1OCCO1
InChIInChI=1S/C12H14BrFO3/c13-11-6-9(14)2-1-8(11)5-10(15)7-12-16-3-4-17-12/h1-2,6,10,12,15H,3-5,7H2
InChIKeyZFPKIABCGIICHA-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
1-(1,3-dioxolan-2-yl)-3-(4-fluorophenyl)propan-2-ol
CID 103547351
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894
2-(2-bromo-4-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79086890
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575189
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608
2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79668703

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol (CID 103547417) is 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol is OC(Cc1ccc(F)cc1Br)CC1OCCO1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
The InChIKey is ZFPKIABCGIICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO3/c13-11-6-9(14)2-1-8(11)5-10(15)7-12-16-3-4-17-12/h1-2,6,10,12,15H,3-5,7H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol?
1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol has a molecular weight of 305.14 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol is sourced from PubChem (CID 103547417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).