2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol

C17H20O4 — CID 164900088

IUPAC2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(O)C(CO)c2ccccc2OC)cc1
InChIInChI=1S/C17H20O4/c1-20-13-9-7-12(8-10-13)17(19)15(11-18)14-5-3-4-6-16(14)21-2/h3-10,15,17-19H,11H2,1-2H3
InChIKeyAGJDRBKMOFCIAC-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol (PubChem CID 164900088) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol
PubChem CID164900088
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol
SMILESCOc1ccc(C(O)C(CO)c2ccccc2OC)cc1
InChIInChI=1S/C17H20O4/c1-20-13-9-7-12(8-10-13)17(19)15(11-18)14-5-3-4-6-16(14)21-2/h3-10,15,17-19H,11H2,1-2H3
InChIKeyAGJDRBKMOFCIAC-UHFFFAOYSA-N
XLogP2.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)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

Related Compounds

2-(4-methoxyphenyl)-1-naphthalen-2-ylpropane-1,3-diol
CID 100944960
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
3-[2-[hydroxy-(4-methoxyphenyl)methyl]phenyl]propan-1-ol
CID 13385960
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
1-(2-methoxyphenyl)butane-1,2,4-triol
CID 171871923
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566
1-[bromo-(2-ethoxyphenyl)methyl]-4-methoxybenzene
CID 12875474
3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 65190689
[4-(difluoromethyl)phenyl]-(2-methoxyphenyl)methanol
CID 115525064
(4-iodophenyl)-(2-methoxyphenyl)methanol
CID 114978781
3-amino-1-(2-bromophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185350
2-[hydroxy-(4-methoxyphenyl)methyl]benzamide
CID 101445139

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol (CID 164900088) is 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol is COc1ccc(C(O)C(CO)c2ccccc2OC)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol?
The InChIKey is AGJDRBKMOFCIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-20-13-9-7-12(8-10-13)17(19)15(11-18)14-5-3-4-6-16(14)21-2/h3-10,15,17-19H,11H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol?
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol has a molecular weight of 288.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 164900088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).