6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol

C33H37NO4 — CID 12051557

IUPAC6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol
SMILESCCCOC(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)ccc2cc(O)ccc12
InChIInChI=1S/C33H37NO4/c1-2-21-38-33(25-8-14-29(15-9-25)37-22-20-34-18-4-3-5-19-34)32-30(24-6-11-27(35)12-7-24)16-10-26-23-28(36)13-17-31(26)32/h6-17,23,33,35-36H,2-5,18-22H2,1H3
InChIKeySOSJVBMUNOQJGF-UHFFFAOYSA-N
MW511.66 g/mol
LogP7.30
Rot. Bonds10

About 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol (PubChem CID 12051557) has the molecular formula C33H37NO4 and a molecular weight of 511.66 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol
PubChem CID12051557
Molecular FormulaC33H37NO4
Molecular Weight511.66 g/mol
Exact Mass511.27
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol
SMILESCCCOC(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)ccc2cc(O)ccc12
InChIInChI=1S/C33H37NO4/c1-2-21-38-33(25-8-14-29(15-9-25)37-22-20-34-18-4-3-5-19-34)32-30(24-6-11-27(35)12-7-24)16-10-26-23-28(36)13-17-31(26)32/h6-17,23,33,35-36H,2-5,18-22H2,1H3
InChIKeySOSJVBMUNOQJGF-UHFFFAOYSA-N
XLogP7.30
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.66
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol with MolForge

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Related Compounds

3-[[6-hydroxy-2-(4-hydroxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methoxy]propanenitrile
CID 12051560
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
5-[hydroxy-[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-6-(2,4,6-trifluorophenyl)naphthalen-2-ol;hydrochloride
CID 67004190
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
CID 18676010
6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
CID 18182697
3-[(2-hydroxyethylamino)-[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-1-benzothiophen-6-ol
CID 59900451
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
6-(5-methylthiophen-3-yl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 58338573
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-[4-(trifluoromethylsulfonyl)phenyl]naphthalen-2-ol
CID 10053779

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol (CID 12051557) is 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol is CCCOC(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)ccc2cc(O)ccc12.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol?
The InChIKey is SOSJVBMUNOQJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO4/c1-2-21-38-33(25-8-14-29(15-9-25)37-22-20-34-18-4-3-5-19-34)32-30(24-6-11-27(35)12-7-24)16-10-26-23-28(36)13-17-31(26)32/h6-17,23,33,35-36H,2-5,18-22H2,1H3.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol has a molecular weight of 511.66 g/mol, XLogP of 7.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol is sourced from PubChem (CID 12051557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).