(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol

C15H13BrF2O2 — CID 83234967

IUPAC(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(Oc2ccc(F)c(Br)c2)c([C@H](C)O)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-8-5-15(11(9(2)19)7-14(8)18)20-10-3-4-13(17)12(16)6-10/h3-7,9,19H,1-2H3/t9-/m0/s1
InChIKeyFVJHPVVQTCMARQ-VIFPVBQESA-N
MW343.17 g/mol
LogP4.88
Rot. Bonds3

About (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol

(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol (PubChem CID 83234967) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
PubChem CID83234967
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(Oc2ccc(F)c(Br)c2)c([C@H](C)O)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-8-5-15(11(9(2)19)7-14(8)18)20-10-3-4-13(17)12(16)6-10/h3-7,9,19H,1-2H3/t9-/m0/s1
InChIKeyFVJHPVVQTCMARQ-VIFPVBQESA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83140559
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 104940754
(1S)-1-[2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 107100172
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
1-[2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 65201173
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
N-[[3-(3-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407504
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol (CID 83234967) is (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol is Cc1cc(Oc2ccc(F)c(Br)c2)c([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is FVJHPVVQTCMARQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrF2O2/c1-8-5-15(11(9(2)19)7-14(8)18)20-10-3-4-13(17)12(16)6-10/h3-7,9,19H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 343.17 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 83234967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).