4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol

C17H14N2O3 — CID 3350036

IUPAC4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2ccc3ccccc3c2)c(O)c1O
InChIInChI=1S/C17H14N2O3/c20-15-8-6-13(16(21)17(15)22)10-18-19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19-22H
InChIKeyZVURFQGFGFSPCM-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.40
Rot. Bonds3

About 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol

4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol (PubChem CID 3350036) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
PubChem CID3350036
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2ccc3ccccc3c2)c(O)c1O
InChIInChI=1S/C17H14N2O3/c20-15-8-6-13(16(21)17(15)22)10-18-19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19-22H
InChIKeyZVURFQGFGFSPCM-UHFFFAOYSA-N
XLogP3.40
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3407357
2-naphthalen-2-yloxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 171978736
4-[(1,3-benzoxazol-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 4599440
3-[(quinolin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 4840474
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23015587
[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 3262955
N-(1,3-benzodioxol-5-ylmethylideneamino)naphthalen-2-amine
CID 70582954
4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 2454893
5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
CID 17019849
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016141

Frequently Asked Questions

What is the IUPAC name of 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol (CID 3350036) is 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol is Oc1ccc(C=NNc2ccc3ccccc3c2)c(O)c1O.
What is the InChIKey of 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
The InChIKey is ZVURFQGFGFSPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15-8-6-13(16(21)17(15)22)10-18-19-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,19-22H.
What are the key properties of 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol?
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol has a molecular weight of 294.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol is sourced from PubChem (CID 3350036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).