4-(naphthalene-1-carboximidoyl)benzene-1,3-diol

C17H13NO2 — CID 135801521

IUPAC4-(naphthalene-1-carboximidoyl)benzene-1,3-diol
SMILES[H]/N=C(\c1ccc(O)cc1O)c1cccc2ccccc12
InChIInChI=1S/C17H13NO2/c18-17(15-9-8-12(19)10-16(15)20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18-20H/b18-17-
InChIKeyJPXPGPAHNVSQCD-ZCXUNETKSA-N
MW263.30 g/mol
LogP3.67
Rot. Bonds2

About 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol

4-(naphthalene-1-carboximidoyl)benzene-1,3-diol (PubChem CID 135801521) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(naphthalene-1-carboximidoyl)benzene-1,3-diol
PubChem CID135801521
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-(naphthalene-1-carboximidoyl)benzene-1,3-diol
SMILES[H]/N=C(\c1ccc(O)cc1O)c1cccc2ccccc12
InChIInChI=1S/C17H13NO2/c18-17(15-9-8-12(19)10-16(15)20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18-20H/b18-17-
InChIKeyJPXPGPAHNVSQCD-ZCXUNETKSA-N
XLogP3.67
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
CID 144780579
CID 13383371
CID 13383371
4-[2-(1H-indol-3-yl)ethanimidoyl]benzene-1,3-diol
CID 135824845
bis(naphthalene-2,7-diol);naphthalen-1-ol
CID 174973186
1-naphthalen-1-ylethane-1,2-diimine
CID 54333687
phenanthren-3-ol
CID 73057263
[3-acetyloxy-4-(2,4-dihydroxybenzenecarboximidoyl)phenyl] acetate;hydrochloride
CID 137187105
(2Z)-2-hydrazinylidene-1-naphthalen-1-ylethanimine
CID 89107539
ethyl 2,4-dihydroxybenzenecarboximidate;hydrochloride
CID 139034333
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 137166775

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol?
The IUPAC name of 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol (CID 135801521) is 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol.
What is the SMILES notation for 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol?
The canonical SMILES for 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol is [H]/N=C(\c1ccc(O)cc1O)c1cccc2ccccc12.
What is the InChIKey of 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol?
The InChIKey is JPXPGPAHNVSQCD-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H13NO2/c18-17(15-9-8-12(19)10-16(15)20)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18-20H/b18-17-.
What are the key properties of 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol?
4-(naphthalene-1-carboximidoyl)benzene-1,3-diol has a molecular weight of 263.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalene-1-carboximidoyl)benzene-1,3-diol is sourced from PubChem (CID 135801521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).