3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol

C14H18BrFO3 — CID 118256023

IUPAC3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol
SMILESOCCCc1c(F)cc(Br)cc1OC1CCOCC1
InChIInChI=1S/C14H18BrFO3/c15-10-8-13(16)12(2-1-5-17)14(9-10)19-11-3-6-18-7-4-11/h8-9,11,17H,1-7H2
InChIKeyFMIQYANQDBQOLD-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.07
Rot. Bonds5

About 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol

3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol (PubChem CID 118256023) has the molecular formula C14H18BrFO3 and a molecular weight of 333.20 g/mol. Its IUPAC name is 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol
PubChem CID118256023
Molecular FormulaC14H18BrFO3
Molecular Weight333.20 g/mol
Exact Mass332.04
IUPAC Name3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol
SMILESOCCCc1c(F)cc(Br)cc1OC1CCOCC1
InChIInChI=1S/C14H18BrFO3/c15-10-8-13(16)12(2-1-5-17)14(9-10)19-11-3-6-18-7-4-11/h8-9,11,17H,1-7H2
InChIKeyFMIQYANQDBQOLD-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-2-one
CID 118256250
3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420008
(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
CID 121407954
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine
CID 63937815
2,4-difluoro-6-(oxan-4-yloxy)aniline
CID 115507352
5-bromo-3-methyl-2-(oxan-4-yloxy)benzoic acid
CID 112620907
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
methyl 4-bromo-2-fluoro-6-(oxan-4-ylamino)benzoate
CID 166637637
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239
5-bromo-1,3-difluoro-2-octylbenzene
CID 167507433

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol?
The IUPAC name of 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol (CID 118256023) is 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol is OCCCc1c(F)cc(Br)cc1OC1CCOCC1.
What is the InChIKey of 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol?
The InChIKey is FMIQYANQDBQOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO3/c15-10-8-13(16)12(2-1-5-17)14(9-10)19-11-3-6-18-7-4-11/h8-9,11,17H,1-7H2.
What are the key properties of 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol?
3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol has a molecular weight of 333.20 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-2-fluoro-6-(oxan-4-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 118256023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).