2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one

C19H21NO2 — CID 11493096

IUPAC2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)c1ccc(CC2CCc3cc(O)ccc3C2=O)cc1
InChIInChI=1S/C19H21NO2/c1-20(2)16-7-3-13(4-8-16)11-15-6-5-14-12-17(21)9-10-18(14)19(15)22/h3-4,7-10,12,15,21H,5-6,11H2,1-2H3
InChIKeyBBZOYEHDIHOLNU-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.45
Rot. Bonds3

About 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one

2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11493096) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID11493096
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)c1ccc(CC2CCc3cc(O)ccc3C2=O)cc1
InChIInChI=1S/C19H21NO2/c1-20(2)16-7-3-13(4-8-16)11-15-6-5-14-12-17(21)9-10-18(14)19(15)22/h3-4,7-10,12,15,21H,5-6,11H2,1-2H3
InChIKeyBBZOYEHDIHOLNU-UHFFFAOYSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 11493096) is 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one is CN(C)c1ccc(CC2CCc3cc(O)ccc3C2=O)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BBZOYEHDIHOLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-20(2)16-7-3-13(4-8-16)11-15-6-5-14-12-17(21)9-10-18(14)19(15)22/h3-4,7-10,12,15,21H,5-6,11H2,1-2H3.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one?
2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl]-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11493096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).