ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate

C12H16O4 — CID 62213944

IUPACethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate
SMILESCCOC(=O)C(O)(CC)c1ccc(O)cc1
InChIInChI=1S/C12H16O4/c1-3-12(15,11(14)16-4-2)9-5-7-10(13)8-6-9/h5-8,13,15H,3-4H2,1-2H3
InChIKeyIQHWVQHPZGEBIM-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.55
Rot. Bonds4

About ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate

ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate (PubChem CID 62213944) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate
PubChem CID62213944
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate
SMILESCCOC(=O)C(O)(CC)c1ccc(O)cc1
InChIInChI=1S/C12H16O4/c1-3-12(15,11(14)16-4-2)9-5-7-10(13)8-6-9/h5-8,13,15H,3-4H2,1-2H3
InChIKeyIQHWVQHPZGEBIM-UHFFFAOYSA-N
XLogP1.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
ethyl 2-(3-fluorophenyl)-2-hydroxybutanoate
CID 114872880
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
ethyl 2-fluoro-3-hydroxy-3-(4-hydroxyphenyl)pentanoate
CID 79366102
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
CID 85373846
ethyl (2R)-2,3-dihydroxy-2-(4-methoxyphenyl)propanoate
CID 121000481
ethyl (2S)-2-hydroxy-2-(4-methylphenyl)-3-nitropropanoate
CID 124656085
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
4-O-benzyl 1-O-ethyl (2S)-2-hydroxy-2-(4-iodophenyl)butanedioate
CID 102160244
ethyl 4-[(2R)-1-ethoxy-2-hydroxy-3-nitro-1-oxopropan-2-yl]benzoate
CID 135017611
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
ethyl (2R)-2-hydroxy-2-(4-methylsulfanylphenyl)-3-nitropropanoate
CID 101389559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate?
The IUPAC name of ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate (CID 62213944) is ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate is CCOC(=O)C(O)(CC)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate?
The InChIKey is IQHWVQHPZGEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-12(15,11(14)16-4-2)9-5-7-10(13)8-6-9/h5-8,13,15H,3-4H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate?
ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate has a molecular weight of 224.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-hydroxyphenyl)butanoate is sourced from PubChem (CID 62213944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).