5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol

C23H23NO2 — CID 153497085

IUPAC5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol
SMILESNCCOc1ccc(C=C2CCCc3cc(O)ccc32)c2ccccc12
InChIInChI=1S/C23H23NO2/c24-12-13-26-23-11-8-18(21-6-1-2-7-22(21)23)14-16-4-3-5-17-15-19(25)9-10-20(16)17/h1-2,6-11,14-15,25H,3-5,12-13,24H2
InChIKeyCAYOKTKKWUKSNW-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.76
Rot. Bonds4

About 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol

5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 153497085) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Name5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID153497085
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol
SMILESNCCOc1ccc(C=C2CCCc3cc(O)ccc32)c2ccccc12
InChIInChI=1S/C23H23NO2/c24-12-13-26-23-11-8-18(21-6-1-2-7-22(21)23)14-16-4-3-5-17-15-19(25)9-10-20(16)17/h1-2,6-11,14-15,25H,3-5,12-13,24H2
InChIKeyCAYOKTKKWUKSNW-UHFFFAOYSA-N
XLogP4.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol (CID 153497085) is 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol is NCCOc1ccc(C=C2CCCc3cc(O)ccc32)c2ccccc12.
What is the InChIKey of 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is CAYOKTKKWUKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c24-12-13-26-23-11-8-18(21-6-1-2-7-22(21)23)14-16-4-3-5-17-15-19(25)9-10-20(16)17/h1-2,6-11,14-15,25H,3-5,12-13,24H2.
What are the key properties of 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol?
5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 345.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-aminoethoxy)naphthalen-1-yl]methylidene]-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 153497085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).