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

C11H14O3 — CID 102236965

IUPAC(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
SMILESCOc1ccccc1[C@@](C)(O)C(C)=O
InChIInChI=1S/C11H14O3/c1-8(12)11(2,13)9-6-4-5-7-10(9)14-3/h4-7,13H,1-3H3/t11-/m0/s1
InChIKeyHSLWMSXDKOWLBM-NSHDSACASA-N
MW194.23 g/mol
LogP1.49
Rot. Bonds3

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

(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one (PubChem CID 102236965) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
PubChem CID102236965
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
SMILESCOc1ccccc1[C@@](C)(O)C(C)=O
InChIInChI=1S/C11H14O3/c1-8(12)11(2,13)9-6-4-5-7-10(9)14-3/h4-7,13H,1-3H3/t11-/m0/s1
InChIKeyHSLWMSXDKOWLBM-NSHDSACASA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one?
The IUPAC name of (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one (CID 102236965) is (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one is COc1ccccc1[C@@](C)(O)C(C)=O.
What is the InChIKey of (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one?
The InChIKey is HSLWMSXDKOWLBM-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O3/c1-8(12)11(2,13)9-6-4-5-7-10(9)14-3/h4-7,13H,1-3H3/t11-/m0/s1.
What are the key properties of (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one?
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one is sourced from PubChem (CID 102236965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).