(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol

C16H18N4O2 — CID 72710757

IUPAC(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
SMILESOC[C@@H](O)C(/C=N/Nc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-12-16(22)15(20-19-14-9-5-2-6-10-14)11-17-18-13-7-3-1-4-8-13/h1-11,16,18-19,21-22H,12H2/b17-11+,20-15?/t16-/m1/s1
InChIKeyVNANLDVSKUEPHC-FERJOWQHSA-N
MW298.35 g/mol
LogP1.91
Rot. Bonds7

About (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol

(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol (PubChem CID 72710757) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol.

Molecular Properties

Compound Name(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
PubChem CID72710757
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol
SMILESOC[C@@H](O)C(/C=N/Nc1ccccc1)=NNc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-12-16(22)15(20-19-14-9-5-2-6-10-14)11-17-18-13-7-3-1-4-8-13/h1-11,16,18-19,21-22H,12H2/b17-11+,20-15?/t16-/m1/s1
InChIKeyVNANLDVSKUEPHC-FERJOWQHSA-N
XLogP1.91
TPSA89.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4E,5Z)-4,5-bis(phenylhydrazinylidene)pentane-1,2,3-triol
CID 6409663
(2R,3R,4S,5E,6Z)-5,6-bis(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 7658673
(2R,3R,4S,5S,6S,7Z,8E)-7,8-bis(phenylhydrazinylidene)octane-1,2,3,4,5,6-hexol
CID 98502367
(1Z,2Z,3S,4S,5S)-5-methoxy-1,2-bis(phenylhydrazinylidene)hexane-3,4-diol
CID 170858139
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(5E,6E)-1,2,4-trihydroxy-5,6-bis(phenylhydrazinylidene)hexan-3-yl]oxyoxane-3,4,5-triol
CID 172951280
2,3-bis(phenylhydrazinylidene)propanal
CID 6399152
[2,3-diacetyloxy-4,5-bis(phenylhydrazinylidene)pentyl] acetate
CID 6399146
(5Z)-6-imino-5-(phenylhydrazinylidene)hexane-1,2,3,4-tetrol
CID 88918747
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
2-benzyl-4-(phenylhydrazinylidene)butan-1-ol
CID 139676092

Frequently Asked Questions

What is the IUPAC name of (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol?
The IUPAC name of (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol (CID 72710757) is (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol.
What is the SMILES notation for (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol?
The canonical SMILES for (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol is OC[C@@H](O)C(/C=N/Nc1ccccc1)=NNc1ccccc1.
What is the InChIKey of (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol?
The InChIKey is VNANLDVSKUEPHC-FERJOWQHSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-12-16(22)15(20-19-14-9-5-2-6-10-14)11-17-18-13-7-3-1-4-8-13/h1-11,16,18-19,21-22H,12H2/b17-11+,20-15?/t16-/m1/s1.
What are the key properties of (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol?
(2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol has a molecular weight of 298.35 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E)-3,4-bis(phenylhydrazinylidene)butane-1,2-diol is sourced from PubChem (CID 72710757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).