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

C14H10Br2F2O2 — CID 107100123

IUPAC(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)c(Br)c1
InChIInChI=1S/C14H10Br2F2O2/c1-7(19)8-2-3-12(10(16)4-8)20-13-6-9(15)5-11(17)14(13)18/h2-7,19H,1H3/t7-/m1/s1
InChIKeyNTCPICYOJMATHS-SSDOTTSWSA-N
MW408.04 g/mol
LogP5.34
Rot. Bonds3

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

(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol (PubChem CID 107100123) has the molecular formula C14H10Br2F2O2 and a molecular weight of 408.04 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
PubChem CID107100123
Molecular FormulaC14H10Br2F2O2
Molecular Weight408.04 g/mol
Exact Mass405.90
IUPAC Name(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)c(Br)c1
InChIInChI=1S/C14H10Br2F2O2/c1-7(19)8-2-3-12(10(16)4-8)20-13-6-9(15)5-11(17)14(13)18/h2-7,19H,1H3/t7-/m1/s1
InChIKeyNTCPICYOJMATHS-SSDOTTSWSA-N
XLogP5.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.04
LogP ≤ 55.34
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

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
1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099982
1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100098
1-[3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanol
CID 115402404
1-[3-bromo-4-(4-chloro-3-fluorophenoxy)phenyl]ethanol
CID 82716734
1-[3-bromo-4-(2-fluoro-4-nitrophenoxy)phenyl]ethanol
CID 62911354
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
(1S)-1-[2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 107100172
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]-N-methylethanamine
CID 107099972

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol (CID 107100123) is (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
The InChIKey is NTCPICYOJMATHS-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H10Br2F2O2/c1-7(19)8-2-3-12(10(16)4-8)20-13-6-9(15)5-11(17)14(13)18/h2-7,19H,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol?
(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol has a molecular weight of 408.04 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 107100123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).