6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol

C36H36N2O4 — CID 18675930

IUPAC6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCOc1ccc(N2CCN(CCOc3ccc(Cc4c(-c5ccc(O)cc5)ccc5cc(O)ccc45)cc3)CC2)cc1
InChIInChI=1S/C36H36N2O4/c1-41-32-14-7-29(8-15-32)38-20-18-37(19-21-38)22-23-42-33-12-2-26(3-13-33)24-36-34(27-4-9-30(39)10-5-27)16-6-28-25-31(40)11-17-35(28)36/h2-17,25,39-40H,18-24H2,1H3
InChIKeyVRBRXWDHSDNPLR-UHFFFAOYSA-N
MW560.69 g/mol
LogP6.72
Rot. Bonds9

About 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 18675930) has the molecular formula C36H36N2O4 and a molecular weight of 560.69 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID18675930
Molecular FormulaC36H36N2O4
Molecular Weight560.69 g/mol
Exact Mass560.27
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCOc1ccc(N2CCN(CCOc3ccc(Cc4c(-c5ccc(O)cc5)ccc5cc(O)ccc45)cc3)CC2)cc1
InChIInChI=1S/C36H36N2O4/c1-41-32-14-7-29(8-15-32)38-20-18-37(19-21-38)22-23-42-33-12-2-26(3-13-33)24-36-34(27-4-9-30(39)10-5-27)16-6-28-25-31(40)11-17-35(28)36/h2-17,25,39-40H,18-24H2,1H3
InChIKeyVRBRXWDHSDNPLR-UHFFFAOYSA-N
XLogP6.72
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.69
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol (CID 18675930) is 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol is COc1ccc(N2CCN(CCOc3ccc(Cc4c(-c5ccc(O)cc5)ccc5cc(O)ccc45)cc3)CC2)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is VRBRXWDHSDNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O4/c1-41-32-14-7-29(8-15-32)38-20-18-37(19-21-38)22-23-42-33-12-2-26(3-13-33)24-36-34(27-4-9-30(39)10-5-27)16-6-28-25-31(40)11-17-35(28)36/h2-17,25,39-40H,18-24H2,1H3.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 560.69 g/mol, XLogP of 6.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 18675930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).