1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol

C15H14BrFO2 — CID 102948307

IUPAC1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1ccccc1F
InChIInChI=1S/C15H14BrFO2/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10,18H,9H2,1H3
InChIKeyLPIPGMFTVOELHI-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.22
Rot. Bonds4

About 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol

1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 102948307) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID102948307
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1ccccc1F
InChIInChI=1S/C15H14BrFO2/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10,18H,9H2,1H3
InChIKeyLPIPGMFTVOELHI-UHFFFAOYSA-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

1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 82975522
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102948136
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
2-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]-4-fluorobenzonitrile
CID 107906176
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
CID 55189545
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol (CID 102948307) is 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol is CC(O)c1ccc(Br)cc1OCc1ccccc1F.
What is the InChIKey of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is LPIPGMFTVOELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-10(18)13-7-6-12(16)8-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(2-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 1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).