1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol

C31H30N2O3 — CID 176730860

IUPAC1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol
SMILESOC(C/N=C(/c1ccccc1)C(O)c1ccccc1)C/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C31H30N2O3/c34-27(21-32-28(23-13-5-1-6-14-23)30(35)25-17-9-3-10-18-25)22-33-29(24-15-7-2-8-16-24)31(36)26-19-11-4-12-20-26/h1-20,27,30-31,34-36H,21-22H2/b32-28-,33-29+
InChIKeyOGGCEYYZUXTXKO-VPROMNBDSA-N
MW478.59 g/mol
LogP4.79
Rot. Bonds10

About 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol

1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol (PubChem CID 176730860) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol
PubChem CID176730860
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC Name1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol
SMILESOC(C/N=C(/c1ccccc1)C(O)c1ccccc1)C/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C31H30N2O3/c34-27(21-32-28(23-13-5-1-6-14-23)30(35)25-17-9-3-10-18-25)22-33-29(24-15-7-2-8-16-24)31(36)26-19-11-4-12-20-26/h1-20,27,30-31,34-36H,21-22H2/b32-28-,33-29+
InChIKeyOGGCEYYZUXTXKO-VPROMNBDSA-N
XLogP4.79
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2'-[(Propane-1,3-diyldinitrilo)bis(phenylmethylidyne)]diphenol
CID 135852926
(1S,2E)-1,2-diphenyl-2-phenylmethoxyiminoethanol
CID 11056216
2-(Benzhydrylideneamino)oxy-1-phenylethanol
CID 101867600
1-(alpha-Hydroxybenzyl)-3,4-dihydroisoquinoline
CID 129761855
1,3-Bis (2-hydroxy-1-naphthylideneamino)-2-propanol
CID 129846840
(1R)-3-benzylimino-1,3-diphenylpropan-1-ol
CID 134950461
(e)-1,3-Bis(2-hydroxy-1,2-diphenylethylidene)thiourea
CID 176730840
(2e,2'e)-2,2'-(Butane-1,4-diylbis(azanylylidene))bis(1,2-diphenylethanol)
CID 176730859
Benzene, 1,4-bis(2-hydroxy-2-phenylethyliminomethyl)-
CID 556328
(1S)-2-(benzhydrylideneamino)-1-phenylethanol
CID 101634851
Dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)
CID 20870809
1,2-Diphenyl-2-methoxy-1-(2-hydroxyethylimino)ethane
CID 21276122

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol?
The IUPAC name of 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol (CID 176730860) is 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol?
The canonical SMILES for 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol is OC(C/N=C(/c1ccccc1)C(O)c1ccccc1)C/N=C(\c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol?
The InChIKey is OGGCEYYZUXTXKO-VPROMNBDSA-N. The full InChI is InChI=1S/C31H30N2O3/c34-27(21-32-28(23-13-5-1-6-14-23)30(35)25-17-9-3-10-18-25)22-33-29(24-15-7-2-8-16-24)31(36)26-19-11-4-12-20-26/h1-20,27,30-31,34-36H,21-22H2/b32-28-,33-29+.
What are the key properties of 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol?
1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol has a molecular weight of 478.59 g/mol, XLogP of 4.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(2-hydroxy-1,2-diphenylethylidene)amino]propan-2-ol is sourced from PubChem (CID 176730860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).