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

C15H16O4 — CID 118174328

IUPAC2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
SMILESCCC(c1ccc(O)cc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H16O4/c1-2-12(9-3-5-10(16)6-4-9)15-13(18)7-11(17)8-14(15)19/h3-8,12,16-19H,2H2,1H3
InChIKeyNHEKTTRMIICGBD-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.05
Rot. Bonds3

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

2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol (PubChem CID 118174328) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
PubChem CID118174328
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol
SMILESCCC(c1ccc(O)cc1)c1c(O)cc(O)cc1O
InChIInChI=1S/C15H16O4/c1-2-12(9-3-5-10(16)6-4-9)15-13(18)7-11(17)8-14(15)19/h3-8,12,16-19H,2H2,1H3
InChIKeyNHEKTTRMIICGBD-UHFFFAOYSA-N
XLogP3.05
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[1-(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

Related Compounds

4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
4-[1-(4-hydroxyphenyl)propyl]-2-propylphenol
CID 68583785
4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol
CID 150882903
1-(4-hydroxyphenyl)-3-[1-(4-hydroxyphenyl)propyl]-4-methylpyrrole-2,5-diol
CID 90855842
4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one
CID 70104683
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]benzene-1,3,5-triol
CID 171272056
4-[4-[1-(4-hydroxyphenyl)-3-methylpentyl]phenyl]phenol
CID 139952288
4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
2-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]benzene-1,3,5-triol;hydrochloride
CID 171272057
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
The IUPAC name of 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol (CID 118174328) is 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol is CCC(c1ccc(O)cc1)c1c(O)cc(O)cc1O.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
The InChIKey is NHEKTTRMIICGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-12(9-3-5-10(16)6-4-9)15-13(18)7-11(17)8-14(15)19/h3-8,12,16-19H,2H2,1H3.
What are the key properties of 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol?
2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol has a molecular weight of 260.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)propyl]benzene-1,3,5-triol is sourced from PubChem (CID 118174328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).