2-hydroxyphenanthrene-1-carbohydrazide

C15H12N2O2 — CID 87840739

IUPAC2-hydroxyphenanthrene-1-carbohydrazide
SMILESNNC(=O)c1c(O)ccc2c1ccc1ccccc12
InChIInChI=1S/C15H12N2O2/c16-17-15(19)14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)18/h1-8,18H,16H2,(H,17,19)
InChIKeySGTSYKLVUOARPK-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.30
Rot. Bonds1

About 2-hydroxyphenanthrene-1-carbohydrazide

2-hydroxyphenanthrene-1-carbohydrazide (PubChem CID 87840739) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-hydroxyphenanthrene-1-carbohydrazide.

Molecular Properties

Compound Name2-hydroxyphenanthrene-1-carbohydrazide
PubChem CID87840739
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-hydroxyphenanthrene-1-carbohydrazide
SMILESNNC(=O)c1c(O)ccc2c1ccc1ccccc12
InChIInChI=1S/C15H12N2O2/c16-17-15(19)14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)18/h1-8,18H,16H2,(H,17,19)
InChIKeySGTSYKLVUOARPK-UHFFFAOYSA-N
XLogP2.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyphenanthrene-1-carbohydrazide?
The IUPAC name of 2-hydroxyphenanthrene-1-carbohydrazide (CID 87840739) is 2-hydroxyphenanthrene-1-carbohydrazide.
What is the SMILES notation for 2-hydroxyphenanthrene-1-carbohydrazide?
The canonical SMILES for 2-hydroxyphenanthrene-1-carbohydrazide is NNC(=O)c1c(O)ccc2c1ccc1ccccc12.
What is the InChIKey of 2-hydroxyphenanthrene-1-carbohydrazide?
The InChIKey is SGTSYKLVUOARPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-17-15(19)14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(14)18/h1-8,18H,16H2,(H,17,19).
What are the key properties of 2-hydroxyphenanthrene-1-carbohydrazide?
2-hydroxyphenanthrene-1-carbohydrazide has a molecular weight of 252.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyphenanthrene-1-carbohydrazide is sourced from PubChem (CID 87840739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).