2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol

C13H20O5 — CID 15417178

IUPAC2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
SMILESCOc1ccc(COCC(CO)(CO)CO)cc1
InChIInChI=1S/C13H20O5/c1-17-12-4-2-11(3-5-12)6-18-10-13(7-14,8-15)9-16/h2-5,14-16H,6-10H2,1H3
InChIKeyBRIAGXLQRKPEMP-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.18
Rot. Bonds8

About 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol

2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol (PubChem CID 15417178) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
PubChem CID15417178
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
SMILESCOc1ccc(COCC(CO)(CO)CO)cc1
InChIInChI=1S/C13H20O5/c1-17-12-4-2-11(3-5-12)6-18-10-13(7-14,8-15)9-16/h2-5,14-16H,6-10H2,1H3
InChIKeyBRIAGXLQRKPEMP-UHFFFAOYSA-N
XLogP0.18
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]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 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol (CID 15417178) is 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol is COc1ccc(COCC(CO)(CO)CO)cc1.
What is the InChIKey of 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol?
The InChIKey is BRIAGXLQRKPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-17-12-4-2-11(3-5-12)6-18-10-13(7-14,8-15)9-16/h2-5,14-16H,6-10H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol?
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol has a molecular weight of 256.30 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol is sourced from PubChem (CID 15417178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).