3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one

C12H16O3 — CID 67840542

IUPAC3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
SMILESCOc1ccc(CC(C)(O)C(C)=O)cc1
InChIInChI=1S/C12H16O3/c1-9(13)12(2,14)8-10-4-6-11(15-3)7-5-10/h4-7,14H,8H2,1-3H3
InChIKeyYFOLGLIPLVKMRP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.58
Rot. Bonds4

About 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one

3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one (PubChem CID 67840542) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
PubChem CID67840542
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
SMILESCOc1ccc(CC(C)(O)C(C)=O)cc1
InChIInChI=1S/C12H16O3/c1-9(13)12(2,14)8-10-4-6-11(15-3)7-5-10/h4-7,14H,8H2,1-3H3
InChIKeyYFOLGLIPLVKMRP-UHFFFAOYSA-N
XLogP1.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
2-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxobutanoic acid
CID 70261554
2,2-difluoro-3-hydroxy-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 55167754
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624
methyl 2-[(4-methoxyphenyl)methyl]-2-[(4-methylphenyl)methyl]-3-oxobutanoate
CID 58031954
[2-(hydroxymethyl)-3-(4-methoxyphenyl)-2-methylpropyl] acetate
CID 101271148
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172841

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one?
The IUPAC name of 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one (CID 67840542) is 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one?
The canonical SMILES for 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one is COc1ccc(CC(C)(O)C(C)=O)cc1.
What is the InChIKey of 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one?
The InChIKey is YFOLGLIPLVKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(13)12(2,14)8-10-4-6-11(15-3)7-5-10/h4-7,14H,8H2,1-3H3.
What are the key properties of 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one?
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 67840542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).