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

C17H14N2O2 — CID 135519910

IUPAC4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc3ccccc3c2)c(O)c1
InChIInChI=1S/C17H14N2O2/c20-16-8-6-14(17(21)10-16)11-18-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19-21H/b18-11+
InChIKeyDPTJJWNFQHUYCX-WOJGMQOQSA-N
MW278.31 g/mol
LogP3.70
Rot. Bonds3

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

4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol (PubChem CID 135519910) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
PubChem CID135519910
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ccc3ccccc3c2)c(O)c1
InChIInChI=1S/C17H14N2O2/c20-16-8-6-14(17(21)10-16)11-18-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19-21H/b18-11+
InChIKeyDPTJJWNFQHUYCX-WOJGMQOQSA-N
XLogP3.70
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol (CID 135519910) is 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ccc3ccccc3c2)c(O)c1.
What is the InChIKey of 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
The InChIKey is DPTJJWNFQHUYCX-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16-8-6-14(17(21)10-16)11-18-19-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19-21H/b18-11+.
What are the key properties of 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol?
4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol has a molecular weight of 278.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,3-diol is sourced from PubChem (CID 135519910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).