2-(4,5,8-trimethoxynaphthalen-1-yl)oxane

C18H22O4 — CID 135036210

IUPAC2-(4,5,8-trimethoxynaphthalen-1-yl)oxane
SMILESCOc1ccc(OC)c2c(C3CCCCO3)ccc(OC)c12
InChIInChI=1S/C18H22O4/c1-19-14-9-10-16(21-3)18-15(20-2)8-7-12(17(14)18)13-6-4-5-11-22-13/h7-10,13H,4-6,11H2,1-3H3
InChIKeyAZVODGCGXQUQAL-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.11
Rot. Bonds4

About 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane

2-(4,5,8-trimethoxynaphthalen-1-yl)oxane (PubChem CID 135036210) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane.

Molecular Properties

Compound Name2-(4,5,8-trimethoxynaphthalen-1-yl)oxane
PubChem CID135036210
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name2-(4,5,8-trimethoxynaphthalen-1-yl)oxane
SMILESCOc1ccc(OC)c2c(C3CCCCO3)ccc(OC)c12
InChIInChI=1S/C18H22O4/c1-19-14-9-10-16(21-3)18-15(20-2)8-7-12(17(14)18)13-6-4-5-11-22-13/h7-10,13H,4-6,11H2,1-3H3
InChIKeyAZVODGCGXQUQAL-UHFFFAOYSA-N
XLogP4.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-5-(oxan-2-yl)pyridin-4-amine
CID 66654828
methyl 3-hydroxy-4-(oxan-2-yl)benzoate
CID 14046868
3-methoxy-6-(oxan-2-yl)pyridazine
CID 117105921
1,4,5,8-tetramethoxynaphthalene
CID 10220551
4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
CID 10172774
[2-(oxan-2-yl)phenyl] methanesulfonate
CID 166653039
2-[(2R)-oxan-2-yl]phenol
CID 92978074
CID 166653038
CID 166653038
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
2-(2-fluoro-5-methylphenyl)oxane
CID 142365700
5,6-dimethoxy-2-(oxan-2-yl)-1H-benzimidazole
CID 62214074
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane?
The IUPAC name of 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane (CID 135036210) is 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane.
What is the SMILES notation for 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane?
The canonical SMILES for 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane is COc1ccc(OC)c2c(C3CCCCO3)ccc(OC)c12.
What is the InChIKey of 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane?
The InChIKey is AZVODGCGXQUQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-14-9-10-16(21-3)18-15(20-2)8-7-12(17(14)18)13-6-4-5-11-22-13/h7-10,13H,4-6,11H2,1-3H3.
What are the key properties of 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane?
2-(4,5,8-trimethoxynaphthalen-1-yl)oxane has a molecular weight of 302.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,8-trimethoxynaphthalen-1-yl)oxane is sourced from PubChem (CID 135036210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).