1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene

C16H20O4 — CID 139659330

IUPAC1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene
SMILESCCOCc1ccc(OC)c2c(OC)ccc(OC)c12
InChIInChI=1S/C16H20O4/c1-5-20-10-11-6-7-13(18-3)16-14(19-4)9-8-12(17-2)15(11)16/h6-9H,5,10H2,1-4H3
InChIKeyMXCKJXNXYBVJRT-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.40
Rot. Bonds6

About 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene

1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene (PubChem CID 139659330) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene.

Molecular Properties

Compound Name1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene
PubChem CID139659330
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene
SMILESCCOCc1ccc(OC)c2c(OC)ccc(OC)c12
InChIInChI=1S/C16H20O4/c1-5-20-10-11-6-7-13(18-3)16-14(19-4)9-8-12(17-2)15(11)16/h6-9H,5,10H2,1-4H3
InChIKeyMXCKJXNXYBVJRT-UHFFFAOYSA-N
XLogP3.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene 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

4-bromo-1-(ethoxymethyl)-2-methoxybenzene
CID 117219856
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
1,4,5,8-tetramethoxynaphthalene
CID 10220551
[3-(2-ethoxyethoxymethyl)-4-methoxyphenyl]methanol
CID 62019338
3,4-bis(ethoxymethyl)phenol
CID 175162905
[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 10236170
1-[4-[(E)-2-(2,3-difluoro-4-methoxyphenyl)ethenyl]phenyl]-4-(ethoxymethyl)-2,3-difluorobenzene
CID 89139958
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide
CID 9084981
1-[(E)-2-[4-[4-(ethoxymethyl)-3-fluorophenyl]phenyl]ethenyl]-2,3-difluoro-4-methoxybenzene
CID 89140000
N-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
4-(ethoxymethyl)-2-methoxybenzenecarbothioamide
CID 106789106
4-bromo-1-(ethoxymethyl)-2-methylbenzene
CID 117219809

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene?
The IUPAC name of 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene (CID 139659330) is 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene.
What is the SMILES notation for 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene?
The canonical SMILES for 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene is CCOCc1ccc(OC)c2c(OC)ccc(OC)c12.
What is the InChIKey of 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene?
The InChIKey is MXCKJXNXYBVJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-5-20-10-11-6-7-13(18-3)16-14(19-4)9-8-12(17-2)15(11)16/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene?
1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene has a molecular weight of 276.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene is sourced from PubChem (CID 139659330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).