1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene

C18H22O4 — CID 135016296

IUPAC1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene
SMILESCOCOc1cccc(C)c1-c1c(C)cccc1OCOC
InChIInChI=1S/C18H22O4/c1-13-7-5-9-15(21-11-19-3)17(13)18-14(2)8-6-10-16(18)22-12-20-4/h5-10H,11-12H2,1-4H3
InChIKeyRRYMVHVLJNMAJG-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.94
Rot. Bonds7

About 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene

1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene (PubChem CID 135016296) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene
PubChem CID135016296
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene
SMILESCOCOc1cccc(C)c1-c1c(C)cccc1OCOC
InChIInChI=1S/C18H22O4/c1-13-7-5-9-15(21-11-19-3)17(13)18-14(2)8-6-10-16(18)22-12-20-4/h5-10H,11-12H2,1-4H3
InChIKeyRRYMVHVLJNMAJG-UHFFFAOYSA-N
XLogP3.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene 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-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene?
The IUPAC name of 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene (CID 135016296) is 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene.
What is the SMILES notation for 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene?
The canonical SMILES for 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene is COCOc1cccc(C)c1-c1c(C)cccc1OCOC.
What is the InChIKey of 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene?
The InChIKey is RRYMVHVLJNMAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-13-7-5-9-15(21-11-19-3)17(13)18-14(2)8-6-10-16(18)22-12-20-4/h5-10H,11-12H2,1-4H3.
What are the key properties of 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene?
1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene has a molecular weight of 302.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-2-[2-(methoxymethoxy)-6-methylphenyl]-3-methylbenzene is sourced from PubChem (CID 135016296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).