1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene

C24H28O5 — CID 102225151

IUPAC1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene
SMILESCCOc1cc(OCC)c(-c2cc(OC)c3ccccc3c2OC)c(OCC)c1
InChIInChI=1S/C24H28O5/c1-6-27-16-13-21(28-7-2)23(22(14-16)29-8-3)19-15-20(25-4)17-11-9-10-12-18(17)24(19)26-5/h9-15H,6-8H2,1-5H3
InChIKeyJYTSJIPLJHVQOG-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.72
Rot. Bonds9

About 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene

1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene (PubChem CID 102225151) has the molecular formula C24H28O5 and a molecular weight of 396.48 g/mol. Its IUPAC name is 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene.

Molecular Properties

Compound Name1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene
PubChem CID102225151
Molecular FormulaC24H28O5
Molecular Weight396.48 g/mol
Exact Mass396.19
IUPAC Name1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene
SMILESCCOc1cc(OCC)c(-c2cc(OC)c3ccccc3c2OC)c(OCC)c1
InChIInChI=1S/C24H28O5/c1-6-27-16-13-21(28-7-2)23(22(14-16)29-8-3)19-15-20(25-4)17-11-9-10-12-18(17)24(19)26-5/h9-15H,6-8H2,1-5H3
InChIKeyJYTSJIPLJHVQOG-UHFFFAOYSA-N
XLogP5.72
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene 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 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene?
The IUPAC name of 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene (CID 102225151) is 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene.
What is the SMILES notation for 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene?
The canonical SMILES for 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene is CCOc1cc(OCC)c(-c2cc(OC)c3ccccc3c2OC)c(OCC)c1.
What is the InChIKey of 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene?
The InChIKey is JYTSJIPLJHVQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O5/c1-6-27-16-13-21(28-7-2)23(22(14-16)29-8-3)19-15-20(25-4)17-11-9-10-12-18(17)24(19)26-5/h9-15H,6-8H2,1-5H3.
What are the key properties of 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene?
1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene has a molecular weight of 396.48 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-(2,4,6-triethoxyphenyl)naphthalene is sourced from PubChem (CID 102225151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).