(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol

C16H16Br2O2 — CID 100920235

IUPAC(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
SMILESC[C@@](O)(c1ccc(Br)cc1)[C@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C16H16Br2O2/c1-15(19,11-3-7-13(17)8-4-11)16(2,20)12-5-9-14(18)10-6-12/h3-10,19-20H,1-2H3/t15-,16-/m1/s1
InChIKeyZVWWNDSIHRLQKE-HZPDHXFCSA-N
MW400.11 g/mol
LogP4.33
Rot. Bonds3

About (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol

(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol (PubChem CID 100920235) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
PubChem CID100920235
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
SMILESC[C@@](O)(c1ccc(Br)cc1)[C@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C16H16Br2O2/c1-15(19,11-3-7-13(17)8-4-11)16(2,20)12-5-9-14(18)10-6-12/h3-10,19-20H,1-2H3/t15-,16-/m1/s1
InChIKeyZVWWNDSIHRLQKE-HZPDHXFCSA-N
XLogP4.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79126815
1-(4-bromophenyl)-1-dimethylphosphanylethanol
CID 171643768
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
CID 46217912
2-(4-bromophenyl)propane-2-thiol
CID 21489042
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
1-(4-bromophenyl)-1-dimethylphosphorylethanol
CID 171643720
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
ethyl 3-(4-bromophenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397381
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol?
The IUPAC name of (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol (CID 100920235) is (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol.
What is the SMILES notation for (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol?
The canonical SMILES for (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol is C[C@@](O)(c1ccc(Br)cc1)[C@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol?
The InChIKey is ZVWWNDSIHRLQKE-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-15(19,11-3-7-13(17)8-4-11)16(2,20)12-5-9-14(18)10-6-12/h3-10,19-20H,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol?
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol has a molecular weight of 400.11 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol is sourced from PubChem (CID 100920235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).