2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol

C13H14N2O2 — CID 70026864

IUPAC2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol
SMILESNN=Cc1ccc(OCCO)c2ccccc12
InChIInChI=1S/C13H14N2O2/c14-15-9-10-5-6-13(17-8-7-16)12-4-2-1-3-11(10)12/h1-6,9,16H,7-8,14H2
InChIKeyJKSZOHYLJZBKNK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol

2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol (PubChem CID 70026864) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol.

Molecular Properties

Compound Name2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol
PubChem CID70026864
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol
SMILESNN=Cc1ccc(OCCO)c2ccccc12
InChIInChI=1S/C13H14N2O2/c14-15-9-10-5-6-13(17-8-7-16)12-4-2-1-3-11(10)12/h1-6,9,16H,7-8,14H2
InChIKeyJKSZOHYLJZBKNK-UHFFFAOYSA-N
XLogP1.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethyl]morpholin-4-amine
CID 70029541
3-chloro-4-hydroxy-N-[(E)-[4-(2-hydroxyethoxy)naphthalen-1-yl]methylideneamino]benzamide
CID 59092381
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
3-(4-methylnaphthalen-1-yl)oxypropan-1-ol
CID 15349996
2-[4-amino-2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 146405993
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
2-(2-hydroxyethoxy)naphthalene-1-sulfonic acid
CID 139692859
2-[1-[2-[[4-[[1-[2-(2-hydroxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]phenyl]methoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 169258581
2-[1-[2-(2-methoxyethoxy)naphthalen-1-yl]naphthalen-2-yl]oxyethanol
CID 144623852
(2-phenylmethoxyphenyl)methylidenehydrazine
CID 78678885
2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
CID 12994977
2-[[15-(2-hydroxyethoxy)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]oxy]ethanol
CID 163620263

Frequently Asked Questions

What is the IUPAC name of 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol?
The IUPAC name of 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol (CID 70026864) is 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol.
What is the SMILES notation for 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol?
The canonical SMILES for 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol is NN=Cc1ccc(OCCO)c2ccccc12.
What is the InChIKey of 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol?
The InChIKey is JKSZOHYLJZBKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-15-9-10-5-6-13(17-8-7-16)12-4-2-1-3-11(10)12/h1-6,9,16H,7-8,14H2.
What are the key properties of 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol?
2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol has a molecular weight of 230.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methanehydrazonoylnaphthalen-1-yl)oxyethanol is sourced from PubChem (CID 70026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).