aniline;naphthalen-1-ol

C16H15NO — CID 158910950

IUPACaniline;naphthalen-1-ol
SMILESNc1ccccc1.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C6H7N/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6/h1-7,11H;1-5H,7H2
InChIKeyJGQGQGUIMKZTPF-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.81
Rot. Bonds

About aniline;naphthalen-1-ol

aniline;naphthalen-1-ol (PubChem CID 158910950) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is aniline;naphthalen-1-ol.

Molecular Properties

Compound Nameaniline;naphthalen-1-ol
PubChem CID158910950
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Nameaniline;naphthalen-1-ol
SMILESNc1ccccc1.Oc1cccc2ccccc12
InChIInChI=1S/C10H8O.C6H7N/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6/h1-7,11H;1-5H,7H2
InChIKeyJGQGQGUIMKZTPF-UHFFFAOYSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627
bis(naphthalen-1-ol);zirconium(2+);dichloride
CID 21243616
naphthalen-1-ol;zinc;hydrate
CID 175263139
chloromethane;ethane;naphthalen-1-ol
CID 144848699
butane;naphthalen-1-ol
CID 142905950
naphthalen-1-ol;pyridine
CID 160876082
bis(naphthalen-1-ol);phosphoric acid
CID 174499172
naphthalen-1-ol;propanoic acid
CID 19792721
naphthalen-1-ol;pyridazine
CID 67795055
methylcarbamic acid;naphthalen-1-ol
CID 53442833

Frequently Asked Questions

What is the IUPAC name of aniline;naphthalen-1-ol?
The IUPAC name of aniline;naphthalen-1-ol (CID 158910950) is aniline;naphthalen-1-ol.
What is the SMILES notation for aniline;naphthalen-1-ol?
The canonical SMILES for aniline;naphthalen-1-ol is Nc1ccccc1.Oc1cccc2ccccc12.
What is the InChIKey of aniline;naphthalen-1-ol?
The InChIKey is JGQGQGUIMKZTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C6H7N/c11-10-7-3-5-8-4-1-2-6-9(8)10;7-6-4-2-1-3-5-6/h1-7,11H;1-5H,7H2.
What are the key properties of aniline;naphthalen-1-ol?
aniline;naphthalen-1-ol has a molecular weight of 237.30 g/mol, XLogP of 3.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;naphthalen-1-ol is sourced from PubChem (CID 158910950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).