1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

C18H22O6 — CID 102579598

IUPAC1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
SMILESCOc1cc(OC)cc(C(O)C(CO)Oc2ccccc2OC)c1
InChIInChI=1S/C18H22O6/c1-21-13-8-12(9-14(10-13)22-2)18(20)17(11-19)24-16-7-5-4-6-15(16)23-3/h4-10,17-20H,11H2,1-3H3
InChIKeyJOPPGUAIXZXCHH-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.19
Rot. Bonds8

About 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol (PubChem CID 102579598) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
PubChem CID102579598
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
SMILESCOc1cc(OC)cc(C(O)C(CO)Oc2ccccc2OC)c1
InChIInChI=1S/C18H22O6/c1-21-13-8-12(9-14(10-13)22-2)18(20)17(11-19)24-16-7-5-4-6-15(16)23-3/h4-10,17-20H,11H2,1-3H3
InChIKeyJOPPGUAIXZXCHH-UHFFFAOYSA-N
XLogP2.19
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol 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-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol (CID 102579598) is 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol is COc1cc(OC)cc(C(O)C(CO)Oc2ccccc2OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol?
The InChIKey is JOPPGUAIXZXCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-21-13-8-12(9-14(10-13)22-2)18(20)17(11-19)24-16-7-5-4-6-15(16)23-3/h4-10,17-20H,11H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol?
1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol has a molecular weight of 334.37 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol is sourced from PubChem (CID 102579598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).