6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol

C31H33NO3 — CID 18675935

IUPAC6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCC3CCNCC3)cc2)cc1
InChIInChI=1S/C31H33NO3/c33-26-8-5-24(6-9-26)29-13-7-25-21-27(34)10-14-30(25)31(29)20-23-3-11-28(12-4-23)35-19-1-2-22-15-17-32-18-16-22/h3-14,21-22,32-34H,1-2,15-20H2
InChIKeyWTBHFUIVOIGMKG-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.67
Rot. Bonds8

About 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol (PubChem CID 18675935) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol
PubChem CID18675935
Molecular FormulaC31H33NO3
Molecular Weight467.61 g/mol
Exact Mass467.25
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCC3CCNCC3)cc2)cc1
InChIInChI=1S/C31H33NO3/c33-26-8-5-24(6-9-26)29-13-7-25-21-27(34)10-14-30(25)31(29)20-23-3-11-28(12-4-23)35-19-1-2-22-15-17-32-18-16-22/h3-14,21-22,32-34H,1-2,15-20H2
InChIKeyWTBHFUIVOIGMKG-UHFFFAOYSA-N
XLogP6.67
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol (CID 18675935) is 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol is Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCC3CCNCC3)cc2)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol?
The InChIKey is WTBHFUIVOIGMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3/c33-26-8-5-24(6-9-26)29-13-7-25-21-27(34)10-14-30(25)31(29)20-23-3-11-28(12-4-23)35-19-1-2-22-15-17-32-18-16-22/h3-14,21-22,32-34H,1-2,15-20H2.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol has a molecular weight of 467.61 g/mol, XLogP of 6.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 18675935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).