2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

C18H22O5 — CID 14353469

IUPAC2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1cc(CCc2cc(OC)c(OC)c(OC)c2)ccc1O
InChIInChI=1S/C18H22O5/c1-20-15-9-12(7-8-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
InChIKeyNRAJPMHEOBLUQC-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.21
Rot. Bonds7

About 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (PubChem CID 14353469) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
PubChem CID14353469
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1cc(CCc2cc(OC)c(OC)c(OC)c2)ccc1O
InChIInChI=1S/C18H22O5/c1-20-15-9-12(7-8-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
InChIKeyNRAJPMHEOBLUQC-UHFFFAOYSA-N
XLogP3.21
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol 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-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (CID 14353469) is 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is COc1cc(CCc2cc(OC)c(OC)c(OC)c2)ccc1O.
What is the InChIKey of 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The InChIKey is NRAJPMHEOBLUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-20-15-9-12(7-8-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol has a molecular weight of 318.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is sourced from PubChem (CID 14353469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).