2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one

C19H20O2 — CID 18459418

IUPAC2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(CC(C)(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-14(2)16-11-9-15(10-12-16)13-19(3,21)18(20)17-7-5-4-6-8-17/h4-12,21H,1,13H2,2-3H3
InChIKeyYVXREMMHQZSLGE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.90
Rot. Bonds5

About 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one

2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one (PubChem CID 18459418) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
PubChem CID18459418
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
SMILESC=C(C)c1ccc(CC(C)(O)C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O2/c1-14(2)16-11-9-15(10-12-16)13-19(3,21)18(20)17-7-5-4-6-8-17/h4-12,21H,1,13H2,2-3H3
InChIKeyYVXREMMHQZSLGE-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one (CID 18459418) is 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one is C=C(C)c1ccc(CC(C)(O)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
The InChIKey is YVXREMMHQZSLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(2)16-11-9-15(10-12-16)13-19(3,21)18(20)17-7-5-4-6-8-17/h4-12,21H,1,13H2,2-3H3.
What are the key properties of 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one?
2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-phenyl-3-(4-prop-1-en-2-ylphenyl)propan-1-one is sourced from PubChem (CID 18459418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).