bis(2,4-dihydroxy-6-methylphenyl)methanone

C15H14O5 — CID 23364960

IUPACbis(2,4-dihydroxy-6-methylphenyl)methanone
SMILESCc1cc(O)cc(O)c1C(=O)c1c(C)cc(O)cc1O
InChIInChI=1S/C15H14O5/c1-7-3-9(16)5-11(18)13(7)15(20)14-8(2)4-10(17)6-12(14)19/h3-6,16-19H,1-2H3
InChIKeyZFKCLDWUBKXPNV-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.36
Rot. Bonds2

About bis(2,4-dihydroxy-6-methylphenyl)methanone

bis(2,4-dihydroxy-6-methylphenyl)methanone (PubChem CID 23364960) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is bis(2,4-dihydroxy-6-methylphenyl)methanone.

Molecular Properties

Compound Namebis(2,4-dihydroxy-6-methylphenyl)methanone
PubChem CID23364960
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Namebis(2,4-dihydroxy-6-methylphenyl)methanone
SMILESCc1cc(O)cc(O)c1C(=O)c1c(C)cc(O)cc1O
InChIInChI=1S/C15H14O5/c1-7-3-9(16)5-11(18)13(7)15(20)14-8(2)4-10(17)6-12(14)19/h3-6,16-19H,1-2H3
InChIKeyZFKCLDWUBKXPNV-UHFFFAOYSA-N
XLogP2.36
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dihydroxy-6-methylphenyl)methanone?
The IUPAC name of bis(2,4-dihydroxy-6-methylphenyl)methanone (CID 23364960) is bis(2,4-dihydroxy-6-methylphenyl)methanone.
What is the SMILES notation for bis(2,4-dihydroxy-6-methylphenyl)methanone?
The canonical SMILES for bis(2,4-dihydroxy-6-methylphenyl)methanone is Cc1cc(O)cc(O)c1C(=O)c1c(C)cc(O)cc1O.
What is the InChIKey of bis(2,4-dihydroxy-6-methylphenyl)methanone?
The InChIKey is ZFKCLDWUBKXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-7-3-9(16)5-11(18)13(7)15(20)14-8(2)4-10(17)6-12(14)19/h3-6,16-19H,1-2H3.
What are the key properties of bis(2,4-dihydroxy-6-methylphenyl)methanone?
bis(2,4-dihydroxy-6-methylphenyl)methanone has a molecular weight of 274.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dihydroxy-6-methylphenyl)methanone is sourced from PubChem (CID 23364960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).