5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol

C34H38N2O3 — CID 10142866

IUPAC5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3cccc5ccccc35)C(C)(C)O4)CC2)cc1
InChIInChI=1S/C34H38N2O3/c1-22-23(2)32-30(34(37,33(4,5)39-32)29-13-9-11-25-10-7-8-12-28(25)29)24(3)31(22)36-20-18-35(19-21-36)26-14-16-27(38-6)17-15-26/h7-17,37H,18-21H2,1-6H3
InChIKeyXTAHGMLIZXYKOI-UHFFFAOYSA-N
MW522.69 g/mol
LogP6.51
Rot. Bonds4

About 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol

5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol (PubChem CID 10142866) has the molecular formula C34H38N2O3 and a molecular weight of 522.69 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol
PubChem CID10142866
Molecular FormulaC34H38N2O3
Molecular Weight522.69 g/mol
Exact Mass522.29
IUPAC Name5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol
SMILESCOc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3cccc5ccccc35)C(C)(C)O4)CC2)cc1
InChIInChI=1S/C34H38N2O3/c1-22-23(2)32-30(34(37,33(4,5)39-32)29-13-9-11-25-10-7-8-12-28(25)29)24(3)31(22)36-20-18-35(19-21-36)26-14-16-27(38-6)17-15-26/h7-17,37H,18-21H2,1-6H3
InChIKeyXTAHGMLIZXYKOI-UHFFFAOYSA-N
XLogP6.51
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol?
The IUPAC name of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol (CID 10142866) is 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol?
The canonical SMILES for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol is COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)(c3cccc5ccccc35)C(C)(C)O4)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol?
The InChIKey is XTAHGMLIZXYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2O3/c1-22-23(2)32-30(34(37,33(4,5)39-32)29-13-9-11-25-10-7-8-12-28(25)29)24(3)31(22)36-20-18-35(19-21-36)26-14-16-27(38-6)17-15-26/h7-17,37H,18-21H2,1-6H3.
What are the key properties of 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol?
5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol has a molecular weight of 522.69 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2,4,6,7-pentamethyl-3-naphthalen-1-yl-1-benzofuran-3-ol is sourced from PubChem (CID 10142866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).