6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol

C26H23NO3 — CID 25074168

IUPAC6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(-c4ccc(N5CCOCC5)cc4)c(O)ccc3c2)c1
InChIInChI=1S/C26H23NO3/c28-23-3-1-2-19(17-23)20-6-10-24-21(16-20)7-11-25(29)26(24)18-4-8-22(9-5-18)27-12-14-30-15-13-27/h1-11,16-17,28-29H,12-15H2
InChIKeyWFUGTOKCAAFTSP-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.42
Rot. Bonds3

About 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol

6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol (PubChem CID 25074168) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol
PubChem CID25074168
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(-c4ccc(N5CCOCC5)cc4)c(O)ccc3c2)c1
InChIInChI=1S/C26H23NO3/c28-23-3-1-2-19(17-23)20-6-10-24-21(16-20)7-11-25(29)26(24)18-4-8-22(9-5-18)27-12-14-30-15-13-27/h1-11,16-17,28-29H,12-15H2
InChIKeyWFUGTOKCAAFTSP-UHFFFAOYSA-N
XLogP5.42
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol?
The IUPAC name of 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol (CID 25074168) is 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol.
What is the SMILES notation for 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol?
The canonical SMILES for 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol is Oc1cccc(-c2ccc3c(-c4ccc(N5CCOCC5)cc4)c(O)ccc3c2)c1.
What is the InChIKey of 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol?
The InChIKey is WFUGTOKCAAFTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c28-23-3-1-2-19(17-23)20-6-10-24-21(16-20)7-11-25(29)26(24)18-4-8-22(9-5-18)27-12-14-30-15-13-27/h1-11,16-17,28-29H,12-15H2.
What are the key properties of 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol?
6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol has a molecular weight of 397.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-1-(4-morpholin-4-ylphenyl)naphthalen-2-ol is sourced from PubChem (CID 25074168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).