2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol

C13H12O4 — CID 86005366

IUPAC2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
SMILESOc1ccc(Cc2c(O)cccc2O)c(O)c1
InChIInChI=1S/C13H12O4/c14-9-5-4-8(13(17)7-9)6-10-11(15)2-1-3-12(10)16/h1-5,7,14-17H,6H2
InChIKeyQXVBXKXBPZYNDW-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.10
Rot. Bonds2

About 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol

2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol (PubChem CID 86005366) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
PubChem CID86005366
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
SMILESOc1ccc(Cc2c(O)cccc2O)c(O)c1
InChIInChI=1S/C13H12O4/c14-9-5-4-8(13(17)7-9)6-10-11(15)2-1-3-12(10)16/h1-5,7,14-17H,6H2
InChIKeyQXVBXKXBPZYNDW-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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Related Compounds

4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
4-ethylbenzene-1,3-diol
CID 17927
4-[(2,4,6-trihydroxyphenyl)methyl]benzene-1,2,3-triol
CID 20820811
4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol
CID 138718814
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
3-[(2,4-dihydroxyphenyl)methyl]-1H-pyrrole-2,5-diol
CID 123591745
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
ethane;4-(fluoromethyl)benzene-1,3-diol
CID 172565118
2-[(2,4-dihydroxyphenyl)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 10316565
4-(2-phenylethyl)benzene-1,3-diol;hydrate
CID 174818892

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol?
The IUPAC name of 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol (CID 86005366) is 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol?
The canonical SMILES for 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol is Oc1ccc(Cc2c(O)cccc2O)c(O)c1.
What is the InChIKey of 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol?
The InChIKey is QXVBXKXBPZYNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-9-5-4-8(13(17)7-9)6-10-11(15)2-1-3-12(10)16/h1-5,7,14-17H,6H2.
What are the key properties of 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol?
2-[(2,4-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 2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 86005366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).