5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol

C26H33NO4 — CID 57388462

IUPAC5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol
SMILESCCN(CC)CCOc1ccc(Cc2c(OCCCO)ccc3cc(O)ccc23)cc1
InChIInChI=1S/C26H33NO4/c1-3-27(4-2)14-17-30-23-10-6-20(7-11-23)18-25-24-12-9-22(29)19-21(24)8-13-26(25)31-16-5-15-28/h6-13,19,28-29H,3-5,14-18H2,1-2H3
InChIKeyKIJRELWAWUMOLC-UHFFFAOYSA-N
MW423.55 g/mol
LogP4.62
Rot. Bonds12

About 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol

5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol (PubChem CID 57388462) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol.

Molecular Properties

Compound Name5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol
PubChem CID57388462
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol
SMILESCCN(CC)CCOc1ccc(Cc2c(OCCCO)ccc3cc(O)ccc23)cc1
InChIInChI=1S/C26H33NO4/c1-3-27(4-2)14-17-30-23-10-6-20(7-11-23)18-25-24-12-9-22(29)19-21(24)8-13-26(25)31-16-5-15-28/h6-13,19,28-29H,3-5,14-18H2,1-2H3
InChIKeyKIJRELWAWUMOLC-UHFFFAOYSA-N
XLogP4.62
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[2-(dibutylamino)ethoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol;hydrochloride
CID 18675943
3-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol;hydrochloride
CID 22458863
2-[1-[[3-[5-[[4-[2-(diethylamino)ethoxy]-3-[4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(2-hydroxyethoxy)naphthalen-1-yl]phenyl]methyl]-6-(2-hydroxyethoxy)naphthalen-1-yl]-4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxyethanol
CID 123413741
1-[1-[[4-[2-(dipropylamino)ethoxy]phenyl]methyl]naphthalen-2-yl]oxypropan-2-ol
CID 57388173
6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
CID 18676010
6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol
CID 18675935
6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol
CID 12020304
6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol
CID 18676036
5-[[4-[4-(3H-azepin-6-yl)butoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol
CID 90953271
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
[2-[2-(diethylamino)ethoxy]-5-methoxyphenyl]methanol
CID 43267964

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol?
The IUPAC name of 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol (CID 57388462) is 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol.
What is the SMILES notation for 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol?
The canonical SMILES for 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol is CCN(CC)CCOc1ccc(Cc2c(OCCCO)ccc3cc(O)ccc23)cc1.
What is the InChIKey of 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol?
The InChIKey is KIJRELWAWUMOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-3-27(4-2)14-17-30-23-10-6-20(7-11-23)18-25-24-12-9-22(29)19-21(24)8-13-26(25)31-16-5-15-28/h6-13,19,28-29H,3-5,14-18H2,1-2H3.
What are the key properties of 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol?
5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol has a molecular weight of 423.55 g/mol, XLogP of 4.62, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-6-(3-hydroxypropoxy)naphthalen-2-ol is sourced from PubChem (CID 57388462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).