(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol

C21H19BrO2 — CID 15981856

IUPAC(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H19BrO2/c22-19-13-11-16(12-14-19)15-24-21(18-9-5-2-6-10-18)20(23)17-7-3-1-4-8-17/h1-14,20-21,23H,15H2/t20-,21-/m0/s1
InChIKeyIFVJYILJLRQEQV-SFTDATJTSA-N
MW383.29 g/mol
LogP5.44
Rot. Bonds6

About (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol

(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol (PubChem CID 15981856) has the molecular formula C21H19BrO2 and a molecular weight of 383.29 g/mol. Its IUPAC name is (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
PubChem CID15981856
Molecular FormulaC21H19BrO2
Molecular Weight383.29 g/mol
Exact Mass382.06
IUPAC Name(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H19BrO2/c22-19-13-11-16(12-14-19)15-24-21(18-9-5-2-6-10-18)20(23)17-7-3-1-4-8-17/h1-14,20-21,23H,15H2/t20-,21-/m0/s1
InChIKeyIFVJYILJLRQEQV-SFTDATJTSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 12060228
2-ethoxy-1,2-diphenylethanol
CID 3767197
(3S,4R)-4-[(4-methoxyphenyl)methoxy]-3-methyl-4-phenylbutan-2-ol
CID 134864557
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
(1R,2S)-2-but-3-enoxy-1,2-diphenylethanol
CID 102243904
(1S)-1-[3-[(4-bromophenyl)methoxy]phenyl]ethanol
CID 78933407
1-[(4-bromophenyl)methoxy]-1-pyridin-4-ylpropan-2-amine
CID 82828548
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
(2S)-3-[(4-methoxyphenyl)methoxy]-2-methyl-3-phenylpropan-1-ol
CID 154717250
1-bromo-4-[[(2R,3R)-1,4-dibromo-3-[(4-bromophenyl)methoxy]butan-2-yl]oxymethyl]benzene
CID 132518009
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
(2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol
CID 155415023

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol?
The IUPAC name of (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol (CID 15981856) is (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol.
What is the SMILES notation for (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol?
The canonical SMILES for (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@@H](OCc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol?
The InChIKey is IFVJYILJLRQEQV-SFTDATJTSA-N. The full InChI is InChI=1S/C21H19BrO2/c22-19-13-11-16(12-14-19)15-24-21(18-9-5-2-6-10-18)20(23)17-7-3-1-4-8-17/h1-14,20-21,23H,15H2/t20-,21-/m0/s1.
What are the key properties of (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol?
(1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol has a molecular weight of 383.29 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[(4-bromophenyl)methoxy]-1,2-diphenylethanol is sourced from PubChem (CID 15981856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).