1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol

C26H28N2O4 — CID 170687383

IUPAC1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(CNNCC(O)COc1cccc2ccccc12)COc1ccc2ccccc2c1
InChIInChI=1S/C26H28N2O4/c29-22(17-31-24-13-12-19-6-1-2-8-21(19)14-24)15-27-28-16-23(30)18-32-26-11-5-9-20-7-3-4-10-25(20)26/h1-14,22-23,27-30H,15-18H2
InChIKeyQYGJLLIWNDAANH-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.27
Rot. Bonds11

About 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol

1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 170687383) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
PubChem CID170687383
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(CNNCC(O)COc1cccc2ccccc12)COc1ccc2ccccc2c1
InChIInChI=1S/C26H28N2O4/c29-22(17-31-24-13-12-19-6-1-2-8-21(19)14-24)15-27-28-16-23(30)18-32-26-11-5-9-20-7-3-4-10-25(20)26/h1-14,22-23,27-30H,15-18H2
InChIKeyQYGJLLIWNDAANH-UHFFFAOYSA-N
XLogP3.27
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(naphthalen-1-ylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 917554
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol (CID 170687383) is 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol is OC(CNNCC(O)COc1cccc2ccccc12)COc1ccc2ccccc2c1.
What is the InChIKey of 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is QYGJLLIWNDAANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c29-22(17-31-24-13-12-19-6-1-2-8-21(19)14-24)15-27-28-16-23(30)18-32-26-11-5-9-20-7-3-4-10-25(20)26/h1-14,22-23,27-30H,15-18H2.
What are the key properties of 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol?
1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 432.52 g/mol, XLogP of 3.27, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 170687383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).