(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol

C15H14Br2O2 — CID 55189545

IUPAC(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Br)ccc1OCc1ccccc1Br
InChIInChI=1S/C15H14Br2O2/c1-10(18)13-8-12(16)6-7-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyGKYFWPUURLRJNH-JTQLQIEISA-N
MW386.08 g/mol
LogP4.84
Rot. Bonds4

About (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol

(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol (PubChem CID 55189545) has the molecular formula C15H14Br2O2 and a molecular weight of 386.08 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
PubChem CID55189545
Molecular FormulaC15H14Br2O2
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Br)ccc1OCc1ccccc1Br
InChIInChI=1S/C15H14Br2O2/c1-10(18)13-8-12(16)6-7-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10,18H,9H2,1H3/t10-/m0/s1
InChIKeyGKYFWPUURLRJNH-JTQLQIEISA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzonitrile
CID 63366051
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1S)-1-[5-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 104862353
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
(1R)-1-[4-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanamine
CID 102946671
(1R)-1-[5-bromo-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63365910
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]ethanol
CID 102948307
(1S)-1-[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 55189544
1-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanol
CID 102616484
1-[5-bromo-2-(ethoxymethoxy)phenyl]ethanol
CID 65369644
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol (CID 55189545) is (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol is C[C@H](O)c1cc(Br)ccc1OCc1ccccc1Br.
What is the InChIKey of (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol?
The InChIKey is GKYFWPUURLRJNH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14Br2O2/c1-10(18)13-8-12(16)6-7-15(13)19-9-11-4-2-3-5-14(11)17/h2-8,10,18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol has a molecular weight of 386.08 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-[(2-bromophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 55189545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).