ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate

C13H18O3 — CID 19091445

IUPACethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)c1cccc(O)c1
InChIInChI=1S/C13H18O3/c1-4-13(3,12(15)16-5-2)10-7-6-8-11(14)9-10/h6-9,14H,4-5H2,1-3H3
InChIKeyQHGWNYWVCZAHDF-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.62
Rot. Bonds4

About ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate

ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate (PubChem CID 19091445) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
PubChem CID19091445
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
SMILESCCOC(=O)C(C)(CC)c1cccc(O)c1
InChIInChI=1S/C13H18O3/c1-4-13(3,12(15)16-5-2)10-7-6-8-11(14)9-10/h6-9,14H,4-5H2,1-3H3
InChIKeyQHGWNYWVCZAHDF-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyano-2-methyl-2-(3-methylphenyl)propanoate
CID 117049503
ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
ethyl 2-methyl-2-(3-methylphenyl)-3-phenylpropanoate
CID 57419846
ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate
CID 155818764
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
2-(3-hydroxyphenyl)-2-methylpentanoic acid
CID 150101497
2-ethoxycarbonyl-2-[(3-hydroxyphenyl)methyl]butanoic acid
CID 113360470
ethyl 3-hydroxy-3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 62396997
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
CID 117049814
ethyl 2-methyl-2-[3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]phenyl]butanoate
CID 67826098
2-amino-2-(3-hydroxyphenyl)butanoic acid
CID 21079809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate?
The IUPAC name of ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate (CID 19091445) is ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate?
The canonical SMILES for ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate is CCOC(=O)C(C)(CC)c1cccc(O)c1.
What is the InChIKey of ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate?
The InChIKey is QHGWNYWVCZAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-13(3,12(15)16-5-2)10-7-6-8-11(14)9-10/h6-9,14H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate?
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate has a molecular weight of 222.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate is sourced from PubChem (CID 19091445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).