1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one

C21H24O4 — CID 175071986

IUPAC1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)c1ccc(C(C(=O)C(C)C)c2ccccc2O)c(O)c1
InChIInChI=1S/C21H24O4/c1-12(2)20(24)14-9-10-16(18(23)11-14)19(21(25)13(3)4)15-7-5-6-8-17(15)22/h5-13,19,22-23H,1-4H3
InChIKeyRNIGHLACGTWWGC-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.29
Rot. Bonds6

About 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one

1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one (PubChem CID 175071986) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one
PubChem CID175071986
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one
SMILESCC(C)C(=O)c1ccc(C(C(=O)C(C)C)c2ccccc2O)c(O)c1
InChIInChI=1S/C21H24O4/c1-12(2)20(24)14-9-10-16(18(23)11-14)19(21(25)13(3)4)15-7-5-6-8-17(15)22/h5-13,19,22-23H,1-4H3
InChIKeyRNIGHLACGTWWGC-UHFFFAOYSA-N
XLogP4.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one?
The IUPAC name of 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one (CID 175071986) is 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one?
The canonical SMILES for 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one is CC(C)C(=O)c1ccc(C(C(=O)C(C)C)c2ccccc2O)c(O)c1.
What is the InChIKey of 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one?
The InChIKey is RNIGHLACGTWWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-12(2)20(24)14-9-10-16(18(23)11-14)19(21(25)13(3)4)15-7-5-6-8-17(15)22/h5-13,19,22-23H,1-4H3.
What are the key properties of 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one?
1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one has a molecular weight of 340.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(2-methylpropanoyl)phenyl]-1-(2-hydroxyphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 175071986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).