1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol

C15H13BrClFO2 — CID 102948136

IUPAC1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H13BrClFO2/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(18)3-5-14(10)17/h2-7,9,19H,8H2,1H3
InChIKeyBEHLZEOSWVLHRX-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.87
Rot. Bonds4

About 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol

1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol (PubChem CID 102948136) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
PubChem CID102948136
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H13BrClFO2/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(18)3-5-14(10)17/h2-7,9,19H,8H2,1H3
InChIKeyBEHLZEOSWVLHRX-UHFFFAOYSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
(1R)-1-[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluorophenyl]ethanol
CID 102616518
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
2-[[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]methyl]-4-fluorobenzonitrile
CID 107906176
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
(1R)-1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615238
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
1-[4-bromo-2-(2-chloro-4-fluorophenoxy)phenyl]ethanol
CID 82970825
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 102616497
(1S)-1-[2-[(4-bromo-2-chlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 104862272

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol (CID 102948136) is 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol is CC(O)c1ccc(Br)cc1OCc1cc(F)ccc1Cl.
What is the InChIKey of 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol?
The InChIKey is BEHLZEOSWVLHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-9(19)13-4-2-11(16)7-15(13)20-8-10-6-12(18)3-5-14(10)17/h2-7,9,19H,8H2,1H3.
What are the key properties of 1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol has a molecular weight of 359.62 g/mol, XLogP of 4.87, 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-chloro-5-fluorophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).