2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol

C13H20O4 — CID 58389383

IUPAC2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol
SMILESCOc1cc(C(C)(O)CC(C)(C)O)ccc1O
InChIInChI=1S/C13H20O4/c1-12(2,15)8-13(3,16)9-5-6-10(14)11(7-9)17-4/h5-7,14-16H,8H2,1-4H3
InChIKeyPWCADUGLEZLDCQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.77
Rot. Bonds4

About 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol

2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol (PubChem CID 58389383) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol
PubChem CID58389383
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol
SMILESCOc1cc(C(C)(O)CC(C)(C)O)ccc1O
InChIInChI=1S/C13H20O4/c1-12(2,15)8-13(3,16)9-5-6-10(14)11(7-9)17-4/h5-7,14-16H,8H2,1-4H3
InChIKeyPWCADUGLEZLDCQ-UHFFFAOYSA-N
XLogP1.77
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-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-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol (CID 58389383) is 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol is COc1cc(C(C)(O)CC(C)(C)O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol?
The InChIKey is PWCADUGLEZLDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-12(2,15)8-13(3,16)9-5-6-10(14)11(7-9)17-4/h5-7,14-16H,8H2,1-4H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol?
2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol has a molecular weight of 240.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-4-methylpentane-2,4-diol is sourced from PubChem (CID 58389383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).