bis(2,4-dihydroxyphenyl)methanone

C13H10O5 — CID 8571

IUPACbis(2,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
InChIKeyWXNRYSGJLQFHBR-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.74
Rot. Bonds2

About bis(2,4-dihydroxyphenyl)methanone

bis(2,4-dihydroxyphenyl)methanone (PubChem CID 8571) has the molecular formula C13H10O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is bis(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(2,4-dihydroxyphenyl)methanone
PubChem CID8571
Molecular FormulaC13H10O5
Molecular Weight246.22 g/mol
Exact Mass246.05
IUPAC Namebis(2,4-dihydroxyphenyl)methanone
SMILESO=C(c1ccc(O)cc1O)c1ccc(O)cc1O
InChIInChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H
InChIKeyWXNRYSGJLQFHBR-UHFFFAOYSA-N
XLogP1.74
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dihydroxyphenyl)methanone?
The IUPAC name of bis(2,4-dihydroxyphenyl)methanone (CID 8571) is bis(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for bis(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for bis(2,4-dihydroxyphenyl)methanone is O=C(c1ccc(O)cc1O)c1ccc(O)cc1O.
What is the InChIKey of bis(2,4-dihydroxyphenyl)methanone?
The InChIKey is WXNRYSGJLQFHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H.
What are the key properties of bis(2,4-dihydroxyphenyl)methanone?
bis(2,4-dihydroxyphenyl)methanone has a molecular weight of 246.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 8571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).