(2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol

C20H17BrO2 — CID 100979982

IUPAC(2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol
SMILESO[C@@H](c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrO2/c21-18-13-11-15(12-14-18)19(22)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19,22-23H/t19-/m0/s1
InChIKeyRYPCEMCXESBOOD-IBGZPJMESA-N
MW369.26 g/mol
LogP4.42
Rot. Bonds4

About (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol

(2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol (PubChem CID 100979982) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol
PubChem CID100979982
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name(2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol
SMILESO[C@@H](c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrO2/c21-18-13-11-15(12-14-18)19(22)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19,22-23H/t19-/m0/s1
InChIKeyRYPCEMCXESBOOD-IBGZPJMESA-N
XLogP4.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

p-Bromobenzhydryl alcohol
CID 98221
(3-Bromophenyl)(phenyl)methanol
CID 285827
1-(4-Bromophenyl)ethanol
CID 95352
(4-Bromophenyl)-diphenylphosphorylmethanol
CID 3106161
1,1,2-Triphenyl-1,2-ethanediol
CID 95527
Bromadiolone metabolite Unk 1
CID 139595396
Bromadiolone metabolite,M9
CID 139595937
Bis(4-bromophenyl)(phenyl)methanol
CID 4152948
4-Bromo-alpha-propylbenzenemethanol
CID 90739
4-Bromo-alpha-ethylbenzenemethanol
CID 107290
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
(2S)-1,1,2-Triphenyl-1,2-ethanediol
CID 7000031

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol?
The IUPAC name of (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol (CID 100979982) is (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol?
The canonical SMILES for (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol is O[C@@H](c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol?
The InChIKey is RYPCEMCXESBOOD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17BrO2/c21-18-13-11-15(12-14-18)19(22)20(23,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19,22-23H/t19-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol?
(2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol has a molecular weight of 369.26 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-1,1-diphenylethane-1,2-diol is sourced from PubChem (CID 100979982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).