1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol

C14H11BrF2O2 — CID 107100098

IUPAC1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2cc(Br)cc(F)c2F)cc1
InChIInChI=1S/C14H11BrF2O2/c1-8(18)9-2-4-11(5-3-9)19-13-7-10(15)6-12(16)14(13)17/h2-8,18H,1H3
InChIKeyDXJREQYZZWUGGQ-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.57
Rot. Bonds3

About 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol

1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol (PubChem CID 107100098) has the molecular formula C14H11BrF2O2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
PubChem CID107100098
Molecular FormulaC14H11BrF2O2
Molecular Weight329.14 g/mol
Exact Mass327.99
IUPAC Name1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2cc(Br)cc(F)c2F)cc1
InChIInChI=1S/C14H11BrF2O2/c1-8(18)9-2-4-11(5-3-9)19-13-7-10(15)6-12(16)14(13)17/h2-8,18H,1H3
InChIKeyDXJREQYZZWUGGQ-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100123
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100168
(1R)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100127
(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
CID 107100154
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389
1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanol
CID 63217010
(1S)-1-[2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 107100172
1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099982
5-bromo-1-[4-(bromomethyl)-3-methylphenoxy]-2,3-difluorobenzene
CID 107100289
1-[4-(2-bromophenoxy)phenyl]ethanol
CID 43506278
3-(5-bromo-2,3-difluorophenoxy)-4-[(1R)-1-hydroxyethyl]benzonitrile
CID 107100113

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol (CID 107100098) is 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol is CC(O)c1ccc(Oc2cc(Br)cc(F)c2F)cc1.
What is the InChIKey of 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
The InChIKey is DXJREQYZZWUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O2/c1-8(18)9-2-4-11(5-3-9)19-13-7-10(15)6-12(16)14(13)17/h2-8,18H,1H3.
What are the key properties of 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol has a molecular weight of 329.14 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 107100098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).