5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol

C13H12O4 — CID 19379531

IUPAC5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol
SMILESOc1cc(O)cc(Cc2cc(O)cc(O)c2)c1
InChIInChI=1S/C13H12O4/c14-10-2-8(3-11(15)6-10)1-9-4-12(16)7-13(17)5-9/h2-7,14-17H,1H2
InChIKeyZWDYXHJFMYGQFB-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.10
Rot. Bonds2

About 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol

5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol (PubChem CID 19379531) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol
PubChem CID19379531
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol
SMILESOc1cc(O)cc(Cc2cc(O)cc(O)c2)c1
InChIInChI=1S/C13H12O4/c14-10-2-8(3-11(15)6-10)1-9-4-12(16)7-13(17)5-9/h2-7,14-17H,1H2
InChIKeyZWDYXHJFMYGQFB-UHFFFAOYSA-N
XLogP2.10
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol?
The IUPAC name of 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol (CID 19379531) is 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol?
The canonical SMILES for 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol is Oc1cc(O)cc(Cc2cc(O)cc(O)c2)c1.
What is the InChIKey of 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol?
The InChIKey is ZWDYXHJFMYGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-10-2-8(3-11(15)6-10)1-9-4-12(16)7-13(17)5-9/h2-7,14-17H,1H2.
What are the key properties of 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol?
5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol has a molecular weight of 232.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dihydroxyphenyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 19379531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).