2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol

C15H16O4 — CID 14592782

IUPAC2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
SMILESOc1ccc(CCCc2c(O)cc(O)cc2O)cc1
InChIInChI=1S/C15H16O4/c16-11-6-4-10(5-7-11)2-1-3-13-14(18)8-12(17)9-15(13)19/h4-9,16-19H,1-3H2
InChIKeyQTRGEOYAVGDPSC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.68
Rot. Bonds4

About 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol

2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol (PubChem CID 14592782) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
PubChem CID14592782
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
SMILESOc1ccc(CCCc2c(O)cc(O)cc2O)cc1
InChIInChI=1S/C15H16O4/c16-11-6-4-10(5-7-11)2-1-3-13-14(18)8-12(17)9-15(13)19/h4-9,16-19H,1-3H2
InChIKeyQTRGEOYAVGDPSC-UHFFFAOYSA-N
XLogP2.68
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol 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-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol (CID 14592782) is 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol is Oc1ccc(CCCc2c(O)cc(O)cc2O)cc1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
The InChIKey is QTRGEOYAVGDPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c16-11-6-4-10(5-7-11)2-1-3-13-14(18)8-12(17)9-15(13)19/h4-9,16-19H,1-3H2.
What are the key properties of 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol has a molecular weight of 260.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol is sourced from PubChem (CID 14592782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).