2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene

C20H20O3 — CID 46226529

IUPAC2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene
SMILESCOc1ccc(Cc2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C20H20O3/c1-21-18-11-10-17(19(22-2)20(18)23-3)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3
InChIKeyNPWGHWGIPOGKNF-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.46
Rot. Bonds5

About 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene

2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene (PubChem CID 46226529) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene.

Molecular Properties

Compound Name2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene
PubChem CID46226529
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene
SMILESCOc1ccc(Cc2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C20H20O3/c1-21-18-11-10-17(19(22-2)20(18)23-3)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3
InChIKeyNPWGHWGIPOGKNF-UHFFFAOYSA-N
XLogP4.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2,3,4-trimethoxyphenyl)methyl]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 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene?
The IUPAC name of 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene (CID 46226529) is 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene.
What is the SMILES notation for 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene?
The canonical SMILES for 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene is COc1ccc(Cc2ccc3ccccc3c2)c(OC)c1OC.
What is the InChIKey of 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene?
The InChIKey is NPWGHWGIPOGKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-21-18-11-10-17(19(22-2)20(18)23-3)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3.
What are the key properties of 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene?
2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene has a molecular weight of 308.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4-trimethoxyphenyl)methyl]naphthalene is sourced from PubChem (CID 46226529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).