5-aminonaphthalen-1-ol;4-aminophenol

C16H16N2O2 — CID 19990694

IUPAC5-aminonaphthalen-1-ol;4-aminophenol
SMILESNc1ccc(O)cc1.Nc1cccc2c(O)cccc12
InChIInChI=1S/C10H9NO.C6H7NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;7-5-1-3-6(8)4-2-5/h1-6,12H,11H2;1-4,8H,7H2
InChIKeyMTMREOHBTJSKOV-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.10
Rot. Bonds

About 5-aminonaphthalen-1-ol;4-aminophenol

5-aminonaphthalen-1-ol;4-aminophenol (PubChem CID 19990694) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-aminonaphthalen-1-ol;4-aminophenol.

Molecular Properties

Compound Name5-aminonaphthalen-1-ol;4-aminophenol
PubChem CID19990694
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-aminonaphthalen-1-ol;4-aminophenol
SMILESNc1ccc(O)cc1.Nc1cccc2c(O)cccc12
InChIInChI=1S/C10H9NO.C6H7NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;7-5-1-3-6(8)4-2-5/h1-6,12H,11H2;1-4,8H,7H2
InChIKeyMTMREOHBTJSKOV-UHFFFAOYSA-N
XLogP3.10
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminonaphthalen-1-ol;4-aminophenol?
The IUPAC name of 5-aminonaphthalen-1-ol;4-aminophenol (CID 19990694) is 5-aminonaphthalen-1-ol;4-aminophenol.
What is the SMILES notation for 5-aminonaphthalen-1-ol;4-aminophenol?
The canonical SMILES for 5-aminonaphthalen-1-ol;4-aminophenol is Nc1ccc(O)cc1.Nc1cccc2c(O)cccc12.
What is the InChIKey of 5-aminonaphthalen-1-ol;4-aminophenol?
The InChIKey is MTMREOHBTJSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C6H7NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12;7-5-1-3-6(8)4-2-5/h1-6,12H,11H2;1-4,8H,7H2.
What are the key properties of 5-aminonaphthalen-1-ol;4-aminophenol?
5-aminonaphthalen-1-ol;4-aminophenol has a molecular weight of 268.32 g/mol, XLogP of 3.10, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminonaphthalen-1-ol;4-aminophenol is sourced from PubChem (CID 19990694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).