(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol

C15H14BrFO2 — CID 78933667

IUPAC(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cccc(OCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H14BrFO2/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-15(17)14(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyFHIUOTGWAMPONP-JTQLQIEISA-N
MW325.18 g/mol
LogP4.22
Rot. Bonds4

About (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol

(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 78933667) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID78933667
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cccc(OCc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H14BrFO2/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-15(17)14(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyFHIUOTGWAMPONP-JTQLQIEISA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78930231
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
(1R)-1-[3-[(3,4-dimethylphenyl)methoxy]phenyl]ethanol
CID 55190777
(1R)-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 63366566
1-[3-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 65476801
(1R)-1-[3-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 55189004
1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
CID 82918244
(1S)-1-[3-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]ethanol
CID 65323262
(1R)-1-[3-[(3-bromothiophen-2-yl)methoxy]phenyl]ethanol
CID 63365571
2-bromo-4-[(3,4-dimethylphenoxy)methyl]-1-fluorobenzene
CID 63458365
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
1-[5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 63533533

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol (CID 78933667) is (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1cccc(OCc2ccc(F)c(Br)c2)c1.
What is the InChIKey of (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is FHIUOTGWAMPONP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-15(17)14(16)7-11/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol?
(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 325.18 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78933667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).