2-(2-iminoethyl)naphthalene-1,4-diol

C12H11NO2 — CID 91312623

IUPAC2-(2-iminoethyl)naphthalene-1,4-diol
SMILES[H]/N=C/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H11NO2/c13-6-5-8-7-11(14)9-3-1-2-4-10(9)12(8)15/h1-4,6-7,13-15H,5H2/b13-6+
InChIKeyTYNHVNALNJZNDI-AWNIVKPZSA-N
MW201.22 g/mol
LogP2.44
Rot. Bonds2

About 2-(2-iminoethyl)naphthalene-1,4-diol

2-(2-iminoethyl)naphthalene-1,4-diol (PubChem CID 91312623) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-iminoethyl)naphthalene-1,4-diol.

Molecular Properties

Compound Name2-(2-iminoethyl)naphthalene-1,4-diol
PubChem CID91312623
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name2-(2-iminoethyl)naphthalene-1,4-diol
SMILES[H]/N=C/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C12H11NO2/c13-6-5-8-7-11(14)9-3-1-2-4-10(9)12(8)15/h1-4,6-7,13-15H,5H2/b13-6+
InChIKeyTYNHVNALNJZNDI-AWNIVKPZSA-N
XLogP2.44
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-iminoethyl)phenol
CID 90112038
2-ethylnaphthalene-1,4-diol
CID 13077288
2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol
CID 56928124
2-(3-hydroxypropyl)naphthalene-1,4-diol
CID 91441568
3-(2-iminoethyl)-1H-indol-5-ol
CID 54393064
2-(propylideneamino)naphthalene-1,4-diol
CID 123930537
(1,4-dihydroxynaphthalen-2-yl) formate
CID 174428973
1,4-dihydroxynaphthalene-2-sulfonamide
CID 91023096
2-dimethylphosphanylnaphthalene-1,4-diol
CID 141045981
2-dipropylphosphanylnaphthalene-1,4-diol
CID 141045997
3-ethyl-4-[(2E,4Z)-hexa-2,4-dien-3-yl]naphthalen-1-ol
CID 126583308
2-phenylsulfanylnaphthalene-1,4-diol
CID 15508792

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminoethyl)naphthalene-1,4-diol?
The IUPAC name of 2-(2-iminoethyl)naphthalene-1,4-diol (CID 91312623) is 2-(2-iminoethyl)naphthalene-1,4-diol.
What is the SMILES notation for 2-(2-iminoethyl)naphthalene-1,4-diol?
The canonical SMILES for 2-(2-iminoethyl)naphthalene-1,4-diol is [H]/N=C/Cc1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-(2-iminoethyl)naphthalene-1,4-diol?
The InChIKey is TYNHVNALNJZNDI-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H11NO2/c13-6-5-8-7-11(14)9-3-1-2-4-10(9)12(8)15/h1-4,6-7,13-15H,5H2/b13-6+.
What are the key properties of 2-(2-iminoethyl)naphthalene-1,4-diol?
2-(2-iminoethyl)naphthalene-1,4-diol has a molecular weight of 201.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminoethyl)naphthalene-1,4-diol is sourced from PubChem (CID 91312623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).