2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol

C18H13BrO4 — CID 71221540

IUPAC2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cccc(-c3cc(O)cc(Br)c3O)c2)c1
InChIInChI=1S/C18H13BrO4/c19-16-9-13(21)8-15(18(16)23)11-3-1-2-10(6-11)14-7-12(20)4-5-17(14)22/h1-9,20-23H
InChIKeyKTUWDSFFRIGDTO-UHFFFAOYSA-N
MW373.20 g/mol
LogP4.61
Rot. Bonds2

About 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol

2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol (PubChem CID 71221540) has the molecular formula C18H13BrO4 and a molecular weight of 373.20 g/mol. Its IUPAC name is 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
PubChem CID71221540
Molecular FormulaC18H13BrO4
Molecular Weight373.20 g/mol
Exact Mass372.00
IUPAC Name2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cccc(-c3cc(O)cc(Br)c3O)c2)c1
InChIInChI=1S/C18H13BrO4/c19-16-9-13(21)8-15(18(16)23)11-3-1-2-10(6-11)14-7-12(20)4-5-17(14)22/h1-9,20-23H
InChIKeyKTUWDSFFRIGDTO-UHFFFAOYSA-N
XLogP4.61
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol?
The IUPAC name of 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol (CID 71221540) is 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol.
What is the SMILES notation for 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol?
The canonical SMILES for 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol is Oc1ccc(O)c(-c2cccc(-c3cc(O)cc(Br)c3O)c2)c1.
What is the InChIKey of 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol?
The InChIKey is KTUWDSFFRIGDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO4/c19-16-9-13(21)8-15(18(16)23)11-3-1-2-10(6-11)14-7-12(20)4-5-17(14)22/h1-9,20-23H.
What are the key properties of 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol?
2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol has a molecular weight of 373.20 g/mol, XLogP of 4.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(2,5-dihydroxyphenyl)phenyl]benzene-1,4-diol is sourced from PubChem (CID 71221540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).