4-(2,4-dihydroxyphenyl)benzene-1,2-diol

C12H10O4 — CID 5321124

IUPAC4-(2,4-dihydroxyphenyl)benzene-1,2-diol
SMILESOc1ccc(-c2ccc(O)c(O)c2)c(O)c1
InChIInChI=1S/C12H10O4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6,13-16H
InChIKeyGHPSCBAZRWEYJT-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.18
Rot. Bonds1

About 4-(2,4-dihydroxyphenyl)benzene-1,2-diol

4-(2,4-dihydroxyphenyl)benzene-1,2-diol (PubChem CID 5321124) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)benzene-1,2-diol
PubChem CID5321124
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name4-(2,4-dihydroxyphenyl)benzene-1,2-diol
SMILESOc1ccc(-c2ccc(O)c(O)c2)c(O)c1
InChIInChI=1S/C12H10O4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6,13-16H
InChIKeyGHPSCBAZRWEYJT-UHFFFAOYSA-N
XLogP2.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)benzene-1,2-diol?
The IUPAC name of 4-(2,4-dihydroxyphenyl)benzene-1,2-diol (CID 5321124) is 4-(2,4-dihydroxyphenyl)benzene-1,2-diol.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)benzene-1,2-diol?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)benzene-1,2-diol is Oc1ccc(-c2ccc(O)c(O)c2)c(O)c1.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)benzene-1,2-diol?
The InChIKey is GHPSCBAZRWEYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6,13-16H.
What are the key properties of 4-(2,4-dihydroxyphenyl)benzene-1,2-diol?
4-(2,4-dihydroxyphenyl)benzene-1,2-diol has a molecular weight of 218.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)benzene-1,2-diol is sourced from PubChem (CID 5321124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).