1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene

C18H22O4 — CID 14079759

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(CCc2ccc(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h7-12H,5-6H2,1-4H3
InChIKeyHCRRYKYLZWKBBM-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.51
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene

1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene (PubChem CID 14079759) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
PubChem CID14079759
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(CCc2ccc(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h7-12H,5-6H2,1-4H3
InChIKeyHCRRYKYLZWKBBM-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene 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-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene (CID 14079759) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene is COc1cc(CCc2ccc(OC)c(OC)c2)cc(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
The InChIKey is HCRRYKYLZWKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h7-12H,5-6H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene has a molecular weight of 302.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 14079759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).