(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one

C12H16O4 — CID 131874680

IUPAC(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
SMILESCOc1ccc([C@H](O)CC(C)=O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-8(13)6-11(14)10-5-4-9(15-2)7-12(10)16-3/h4-5,7,11,14H,6H2,1-3H3/t11-/m1/s1
InChIKeyJZGHAKPTWNHWMZ-LLVKDONJSA-N
MW224.26 g/mol
LogP1.72
Rot. Bonds5

About (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one

(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one (PubChem CID 131874680) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one.

Molecular Properties

Compound Name(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
PubChem CID131874680
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
SMILESCOc1ccc([C@H](O)CC(C)=O)c(OC)c1
InChIInChI=1S/C12H16O4/c1-8(13)6-11(14)10-5-4-9(15-2)7-12(10)16-3/h4-5,7,11,14H,6H2,1-3H3/t11-/m1/s1
InChIKeyJZGHAKPTWNHWMZ-LLVKDONJSA-N
XLogP1.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
3-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2,3,4-trimethoxyphenyl)propan-1-one
CID 10926906
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
3-amino-3-(2,4-dimethoxyphenyl)propanamide
CID 23366621

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one?
The IUPAC name of (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one (CID 131874680) is (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one.
What is the SMILES notation for (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one?
The canonical SMILES for (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one is COc1ccc([C@H](O)CC(C)=O)c(OC)c1.
What is the InChIKey of (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one?
The InChIKey is JZGHAKPTWNHWMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(13)6-11(14)10-5-4-9(15-2)7-12(10)16-3/h4-5,7,11,14H,6H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one?
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one is sourced from PubChem (CID 131874680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).