6-isocyano-7-methoxynaphthalen-1-ol

C12H9NO2 — CID 140901332

IUPAC6-isocyano-7-methoxynaphthalen-1-ol
SMILES[C-]#[N+]c1cc2cccc(O)c2cc1OC
InChIInChI=1S/C12H9NO2/c1-13-10-6-8-4-3-5-11(14)9(8)7-12(10)15-2/h3-7,14H,2H3
InChIKeyQZNJIUWRABYNDD-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.10
Rot. Bonds1

About 6-isocyano-7-methoxynaphthalen-1-ol

6-isocyano-7-methoxynaphthalen-1-ol (PubChem CID 140901332) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-isocyano-7-methoxynaphthalen-1-ol.

Molecular Properties

Compound Name6-isocyano-7-methoxynaphthalen-1-ol
PubChem CID140901332
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name6-isocyano-7-methoxynaphthalen-1-ol
SMILES[C-]#[N+]c1cc2cccc(O)c2cc1OC
InChIInChI=1S/C12H9NO2/c1-13-10-6-8-4-3-5-11(14)9(8)7-12(10)15-2/h3-7,14H,2H3
InChIKeyQZNJIUWRABYNDD-UHFFFAOYSA-N
XLogP3.10
TPSA33.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-isocyano-7-methoxynaphthalen-1-ol?
The IUPAC name of 6-isocyano-7-methoxynaphthalen-1-ol (CID 140901332) is 6-isocyano-7-methoxynaphthalen-1-ol.
What is the SMILES notation for 6-isocyano-7-methoxynaphthalen-1-ol?
The canonical SMILES for 6-isocyano-7-methoxynaphthalen-1-ol is [C-]#[N+]c1cc2cccc(O)c2cc1OC.
What is the InChIKey of 6-isocyano-7-methoxynaphthalen-1-ol?
The InChIKey is QZNJIUWRABYNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-13-10-6-8-4-3-5-11(14)9(8)7-12(10)15-2/h3-7,14H,2H3.
What are the key properties of 6-isocyano-7-methoxynaphthalen-1-ol?
6-isocyano-7-methoxynaphthalen-1-ol has a molecular weight of 199.21 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-isocyano-7-methoxynaphthalen-1-ol is sourced from PubChem (CID 140901332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).