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

C14H10BrClF2O2 — CID 107100154

IUPAC(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O2/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-/m0/s1
InChIKeyYRYDVJNHWOXETR-ZETCQYMHSA-N
MW363.59 g/mol
LogP5.23
Rot. Bonds3

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

(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol (PubChem CID 107100154) has the molecular formula C14H10BrClF2O2 and a molecular weight of 363.59 g/mol. Its IUPAC name is (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
PubChem CID107100154
Molecular FormulaC14H10BrClF2O2
Molecular Weight363.59 g/mol
Exact Mass361.95
IUPAC Name(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)c(Cl)c1
InChIInChI=1S/C14H10BrClF2O2/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-/m0/s1
InChIKeyYRYDVJNHWOXETR-ZETCQYMHSA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.23
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
(1R)-1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100123
1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]-N-methylethanamine
CID 107099972
1-[4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanol
CID 107100098
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
(1R)-1-[4-(2-chloro-4-methylphenoxy)-3-fluorophenyl]ethanol
CID 78941905
(1R)-1-[4-(4-bromophenoxy)-3-chlorophenyl]ethanol
CID 78941541
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
1-[3-bromo-4-(5-bromo-2,3-difluorophenoxy)phenyl]ethanamine
CID 107099982
4-(5-bromo-2,3-difluorophenoxy)-3-chlorobenzenecarboximidamide
CID 107099791
(1R)-1-[3-chloro-4-(2,5-dimethylphenoxy)phenyl]ethanol
CID 78941592

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol?
The IUPAC name of (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol (CID 107100154) is (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol is C[C@H](O)c1ccc(Oc2cc(Br)cc(F)c2F)c(Cl)c1.
What is the InChIKey of (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol?
The InChIKey is YRYDVJNHWOXETR-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H10BrClF2O2/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-/m0/s1.
What are the key properties of (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol?
(1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol has a molecular weight of 363.59 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(5-bromo-2,3-difluorophenoxy)-3-chlorophenyl]ethanol is sourced from PubChem (CID 107100154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).