1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol

C11H14BrFO2 — CID 81113258

IUPAC1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCCCF
InChIInChI=1S/C11H14BrFO2/c1-8(14)10-7-9(12)3-4-11(10)15-6-2-5-13/h3-4,7-8,14H,2,5-6H2,1H3
InChIKeyLXPUYWHGINDIBJ-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.24
Rot. Bonds5

About 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol

1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol (PubChem CID 81113258) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
PubChem CID81113258
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
SMILESCC(O)c1cc(Br)ccc1OCCCF
InChIInChI=1S/C11H14BrFO2/c1-8(14)10-7-9(12)3-4-11(10)15-6-2-5-13/h3-4,7-8,14H,2,5-6H2,1H3
InChIKeyLXPUYWHGINDIBJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol
CID 81114812
1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63533540
(1R)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 63532943
(1S)-1-(5-bromo-2-nonoxyphenyl)ethanol
CID 78944591
(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 78996570
5-[4-bromo-2-(1-hydroxyethyl)phenoxy]pentanenitrile
CID 62378839
(1R)-1-[5-bromo-2-(3-methylsulfanylpropoxy)phenyl]ethanol
CID 104863612
(1S)-1-[5-chloro-2-(3-fluoropropoxy)phenyl]ethanol
CID 81113981
1-[5-bromo-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 62379554
(1S)-1-[5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanol
CID 104564070
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanol
CID 104893887

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol (CID 81113258) is 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol is CC(O)c1cc(Br)ccc1OCCCF.
What is the InChIKey of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol?
The InChIKey is LXPUYWHGINDIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-8(14)10-7-9(12)3-4-11(10)15-6-2-5-13/h3-4,7-8,14H,2,5-6H2,1H3.
What are the key properties of 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol?
1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol has a molecular weight of 277.13 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-fluoropropoxy)phenyl]ethanol is sourced from PubChem (CID 81113258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).