2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

C13H20O3 — CID 129085399

IUPAC2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(CO)cc(C(C)(C)O)c1
InChIInChI=1S/C13H20O3/c1-12(2,15)10-5-9(8-14)6-11(7-10)13(3,4)16/h5-7,14-16H,8H2,1-4H3
InChIKeyZOGXRAXGTWJCTG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.63
Rot. Bonds3

About 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol

2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (PubChem CID 129085399) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
PubChem CID129085399
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(CO)cc(C(C)(C)O)c1
InChIInChI=1S/C13H20O3/c1-12(2,15)10-5-9(8-14)6-11(7-10)13(3,4)16/h5-7,14-16H,8H2,1-4H3
InChIKeyZOGXRAXGTWJCTG-UHFFFAOYSA-N
XLogP1.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol 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-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol (CID 129085399) is 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is CC(C)(O)c1cc(CO)cc(C(C)(C)O)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
The InChIKey is ZOGXRAXGTWJCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-12(2,15)10-5-9(8-14)6-11(7-10)13(3,4)16/h5-7,14-16H,8H2,1-4H3.
What are the key properties of 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol?
2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 129085399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).