(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one

C11H14O3 — CID 101411477

IUPAC(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
SMILESCOc1cccc([C@H](O)CC(C)=O)c1
InChIInChI=1S/C11H14O3/c1-8(12)6-11(13)9-4-3-5-10(7-9)14-2/h3-5,7,11,13H,6H2,1-2H3/t11-/m1/s1
InChIKeyZKWCOMLAOQTYIJ-LLVKDONJSA-N
MW194.23 g/mol
LogP1.71
Rot. Bonds4

About (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one

(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one (PubChem CID 101411477) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
PubChem CID101411477
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
SMILESCOc1cccc([C@H](O)CC(C)=O)c1
InChIInChI=1S/C11H14O3/c1-8(12)6-11(13)9-4-3-5-10(7-9)14-2/h3-5,7,11,13H,6H2,1-2H3/t11-/m1/s1
InChIKeyZKWCOMLAOQTYIJ-LLVKDONJSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
1-[4-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]phenyl]ethanone
CID 81133388
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one?
The IUPAC name of (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one (CID 101411477) is (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one?
The canonical SMILES for (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one is COc1cccc([C@H](O)CC(C)=O)c1.
What is the InChIKey of (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one?
The InChIKey is ZKWCOMLAOQTYIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)6-11(13)9-4-3-5-10(7-9)14-2/h3-5,7,11,13H,6H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one?
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one is sourced from PubChem (CID 101411477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).