propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate

C12H16O4 — CID 129353793

IUPACpropan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
SMILESCOc1ccc([C@H](O)C(=O)OC(C)C)cc1
InChIInChI=1S/C12H16O4/c1-8(2)16-12(14)11(13)9-4-6-10(15-3)7-5-9/h4-8,11,13H,1-3H3/t11-/m0/s1
InChIKeyZJLKPUFPAGCNBF-NSHDSACASA-N
MW224.26 g/mol
LogP1.68
Rot. Bonds4

About propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate

propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate (PubChem CID 129353793) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
PubChem CID129353793
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namepropan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
SMILESCOc1ccc([C@H](O)C(=O)OC(C)C)cc1
InChIInChI=1S/C12H16O4/c1-8(2)16-12(14)11(13)9-4-6-10(15-3)7-5-9/h4-8,11,13H,1-3H3/t11-/m0/s1
InChIKeyZJLKPUFPAGCNBF-NSHDSACASA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
ethyl 2-[hydroxy-(4-methoxyphenyl)methyl]prop-2-enoate
CID 11447702
propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
CID 60704324
(1R,2S)-1-di(propan-2-yloxy)phosphoryl-2-(4-methoxyphenyl)ethane-1,2-diol
CID 101193123
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
CID 175713586
CID 175713586

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate?
The IUPAC name of propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate (CID 129353793) is propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate?
The canonical SMILES for propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate is COc1ccc([C@H](O)C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate?
The InChIKey is ZJLKPUFPAGCNBF-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O4/c1-8(2)16-12(14)11(13)9-4-6-10(15-3)7-5-9/h4-8,11,13H,1-3H3/t11-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate?
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate has a molecular weight of 224.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 129353793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).