2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one

C23H28O4 — CID 170842258

IUPAC2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(C(=O)C(C)(C)O)cc1.CC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C13H16O2.C10H12O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15;1-10(2,12)9(11)8-6-4-3-5-7-8/h5-8,15H,1H2,2-4H3;3-7,12H,1-2H3
InChIKeyHZOARQZVFBRCAM-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.31
Rot. Bonds5

About 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one

2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one (PubChem CID 170842258) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
PubChem CID170842258
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(C(=O)C(C)(C)O)cc1.CC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C13H16O2.C10H12O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15;1-10(2,12)9(11)8-6-4-3-5-7-8/h5-8,15H,1H2,2-4H3;3-7,12H,1-2H3
InChIKeyHZOARQZVFBRCAM-UHFFFAOYSA-N
XLogP4.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one (CID 170842258) is 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one is C=C(C)c1ccc(C(=O)C(C)(C)O)cc1.CC(C)(O)C(=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
The InChIKey is HZOARQZVFBRCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C10H12O2/c1-9(2)10-5-7-11(8-6-10)12(14)13(3,4)15;1-10(2,12)9(11)8-6-4-3-5-7-8/h5-8,15H,1H2,2-4H3;3-7,12H,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one?
2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one has a molecular weight of 368.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-phenylpropan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one is sourced from PubChem (CID 170842258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).