4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol

C15H16O4 — CID 78166649

IUPAC4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol
SMILESOCC(Cc1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H16O4/c16-9-12(10-1-4-13(17)5-2-10)7-11-3-6-14(18)8-15(11)19/h1-6,8,12,16-19H,7,9H2
InChIKeySRUZJXFKTNHVQL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.12
Rot. Bonds4

About 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol

4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol (PubChem CID 78166649) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol
PubChem CID78166649
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol
SMILESOCC(Cc1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H16O4/c16-9-12(10-1-4-13(17)5-2-10)7-11-3-6-14(18)8-15(11)19/h1-6,8,12,16-19H,7,9H2
InChIKeySRUZJXFKTNHVQL-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 71744426
CID 172851102
CID 172851102
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
2-(4-hydroxyphenyl)butane-1,4-diol
CID 139687433
4-(1-hydrazinyl-3-hydroxypropan-2-yl)phenol
CID 105440037
3-(2,4-difluorophenyl)-2-phenylpropan-1-ol
CID 66059206
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
4-[2-(methylamino)propyl]benzene-1,3-diol
CID 84732352
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
CID 22673753
[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl]phosphonic acid
CID 57191516
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
The IUPAC name of 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol (CID 78166649) is 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
The canonical SMILES for 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol is OCC(Cc1ccc(O)cc1O)c1ccc(O)cc1.
What is the InChIKey of 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
The InChIKey is SRUZJXFKTNHVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c16-9-12(10-1-4-13(17)5-2-10)7-11-3-6-14(18)8-15(11)19/h1-6,8,12,16-19H,7,9H2.
What are the key properties of 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol?
4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol has a molecular weight of 260.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol is sourced from PubChem (CID 78166649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).