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

C15H13BrF2O2 — CID 104940754

IUPAC(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(Oc2cc(Br)ccc2F)c([C@H](C)O)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-8-5-14(11(9(2)19)7-13(8)18)20-15-6-10(16)3-4-12(15)17/h3-7,9,19H,1-2H3/t9-/m0/s1
InChIKeyPSFHYCWJDOFJKI-VIFPVBQESA-N
MW343.17 g/mol
LogP4.88
Rot. Bonds3

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

(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol (PubChem CID 104940754) has the molecular formula C15H13BrF2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
PubChem CID104940754
Molecular FormulaC15H13BrF2O2
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(Oc2cc(Br)ccc2F)c([C@H](C)O)cc1F
InChIInChI=1S/C15H13BrF2O2/c1-8-5-14(11(9(2)19)7-13(8)18)20-15-6-10(16)3-4-12(15)17/h3-7,9,19H,1-2H3/t9-/m0/s1
InChIKeyPSFHYCWJDOFJKI-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

(1S)-1-[2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 107100172
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83234967
1-[2-(4-bromo-3-methylphenoxy)-5-fluoro-4-methylphenyl]ethanol
CID 83140559
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanol
CID 104940737
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanol
CID 82971322
1-[2-(5-bromo-2-methylphenoxy)-6-fluorophenyl]ethanol
CID 107284910
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
1-[4-bromo-2-(4-bromo-3-fluorophenoxy)phenyl]ethanol
CID 82971113
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
1-[5-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanol
CID 82970526

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol (CID 104940754) is (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol is Cc1cc(Oc2cc(Br)ccc2F)c([C@H](C)O)cc1F.
What is the InChIKey of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is PSFHYCWJDOFJKI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrF2O2/c1-8-5-14(11(9(2)19)7-13(8)18)20-15-6-10(16)3-4-12(15)17/h3-7,9,19H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol?
(1S)-1-[2-(5-bromo-2-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-(5-bromo-2-fluorophenoxy)-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 104940754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).