3-aminobenzaldehyde;naphthalen-2-ol

C17H15NO2 — CID 175504039

IUPAC3-aminobenzaldehyde;naphthalen-2-ol
SMILESNc1cccc(C=O)c1.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C7H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10;8-7-3-1-2-6(4-7)5-9/h1-7,11H;1-5H,8H2
InChIKeyAHJNHGZPAOAIIP-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.63
Rot. Bonds1

About 3-aminobenzaldehyde;naphthalen-2-ol

3-aminobenzaldehyde;naphthalen-2-ol (PubChem CID 175504039) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-aminobenzaldehyde;naphthalen-2-ol.

Molecular Properties

Compound Name3-aminobenzaldehyde;naphthalen-2-ol
PubChem CID175504039
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-aminobenzaldehyde;naphthalen-2-ol
SMILESNc1cccc(C=O)c1.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C7H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10;8-7-3-1-2-6(4-7)5-9/h1-7,11H;1-5H,8H2
InChIKeyAHJNHGZPAOAIIP-UHFFFAOYSA-N
XLogP3.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 69280188
CID 69280188
naphthalen-2-ol
CID 71750931
ethane;naphthalen-2-ol
CID 91107047
1,4-dioxane;6-hydroxynaphthalene-2-carbaldehyde
CID 88868066
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
ethanamine;naphthalene-2-carbaldehyde
CID 143882987
naphthalen-2-ol;4-nitroaniline
CID 160761253
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
aniline;bicyclo[2.2.1]hept-2-ene;naphthalene-2-carbaldehyde
CID 158502151
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
2-(3-aminophenyl)-5-hydroxybenzaldehyde
CID 163758907

Frequently Asked Questions

What is the IUPAC name of 3-aminobenzaldehyde;naphthalen-2-ol?
The IUPAC name of 3-aminobenzaldehyde;naphthalen-2-ol (CID 175504039) is 3-aminobenzaldehyde;naphthalen-2-ol.
What is the SMILES notation for 3-aminobenzaldehyde;naphthalen-2-ol?
The canonical SMILES for 3-aminobenzaldehyde;naphthalen-2-ol is Nc1cccc(C=O)c1.Oc1ccc2ccccc2c1.
What is the InChIKey of 3-aminobenzaldehyde;naphthalen-2-ol?
The InChIKey is AHJNHGZPAOAIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C7H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10;8-7-3-1-2-6(4-7)5-9/h1-7,11H;1-5H,8H2.
What are the key properties of 3-aminobenzaldehyde;naphthalen-2-ol?
3-aminobenzaldehyde;naphthalen-2-ol has a molecular weight of 265.31 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobenzaldehyde;naphthalen-2-ol is sourced from PubChem (CID 175504039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).