(2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol

C16H16Br2O2 — CID 155415023

IUPAC(2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol
SMILESC[C@H](O)C(OCc1ccccc1)c1c(Br)cccc1Br
InChIInChI=1S/C16H16Br2O2/c1-11(19)16(15-13(17)8-5-9-14(15)18)20-10-12-6-3-2-4-7-12/h2-9,11,16,19H,10H2,1H3/t11-,16?/m0/s1
InChIKeyJKQHDEHTHOFDJF-CHPOKUKFSA-N
MW400.11 g/mol
LogP4.85
Rot. Bonds5

About (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol

(2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol (PubChem CID 155415023) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol
PubChem CID155415023
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name(2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol
SMILESC[C@H](O)C(OCc1ccccc1)c1c(Br)cccc1Br
InChIInChI=1S/C16H16Br2O2/c1-11(19)16(15-13(17)8-5-9-14(15)18)20-10-12-6-3-2-4-7-12/h2-9,11,16,19H,10H2,1H3/t11-,16?/m0/s1
InChIKeyJKQHDEHTHOFDJF-CHPOKUKFSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
CID 69346055
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2R,5R)-5-phenylmethoxyhexan-2-ol
CID 13411955
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
benzyl 3-hydroxy-2-methyl-3-phenylmethoxypropanoate
CID 167055654
2-methyl-4-phenylmethoxyhexane-1,3,5-triol
CID 123316682

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol?
The IUPAC name of (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol (CID 155415023) is (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol?
The canonical SMILES for (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol is C[C@H](O)C(OCc1ccccc1)c1c(Br)cccc1Br.
What is the InChIKey of (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol?
The InChIKey is JKQHDEHTHOFDJF-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-11(19)16(15-13(17)8-5-9-14(15)18)20-10-12-6-3-2-4-7-12/h2-9,11,16,19H,10H2,1H3/t11-,16?/m0/s1.
What are the key properties of (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol?
(2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol has a molecular weight of 400.11 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,6-dibromophenyl)-1-phenylmethoxypropan-2-ol is sourced from PubChem (CID 155415023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).