ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate

C15H22O3 — CID 79298581

IUPACethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
SMILESCCOC(=O)C(O)(CC)C(C)c1ccccc1C
InChIInChI=1S/C15H22O3/c1-5-15(17,14(16)18-6-2)12(4)13-10-8-7-9-11(13)3/h7-10,12,17H,5-6H2,1-4H3
InChIKeyNULQHTGAHTWYPL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.80
Rot. Bonds5

About ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate

ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate (PubChem CID 79298581) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
PubChem CID79298581
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nameethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
SMILESCCOC(=O)C(O)(CC)C(C)c1ccccc1C
InChIInChI=1S/C15H22O3/c1-5-15(17,14(16)18-6-2)12(4)13-10-8-7-9-11(13)3/h7-10,12,17H,5-6H2,1-4H3
InChIKeyNULQHTGAHTWYPL-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299005
ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689
ethyl 3-(3,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299548
ethyl 2-hydroxy-2-[1-(2-methoxy-5-methylphenyl)ethyl]pentanoate
CID 83052460
ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate
CID 79303862
ethyl 2-hydroxy-4-methyl-3-phenyl-2-propylpentanoate
CID 83051907
ethyl 2-hydroxy-2-methyl-3-naphthalen-1-ylbutanoate
CID 79298470
ethyl 2-ethyl-2-hydroxy-3-methylpentanoate
CID 79298792
ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
3-ethoxy-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103974778
2-ethyl-3-(2-fluorophenyl)-2-hydroxybutanoic acid
CID 79303258
diethyl 2-ethyl-2-(2-propan-2-ylphenyl)sulfanylpropanedioate
CID 172689520

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate?
The IUPAC name of ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate (CID 79298581) is ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate is CCOC(=O)C(O)(CC)C(C)c1ccccc1C.
What is the InChIKey of ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate?
The InChIKey is NULQHTGAHTWYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-15(17,14(16)18-6-2)12(4)13-10-8-7-9-11(13)3/h7-10,12,17H,5-6H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate?
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate has a molecular weight of 250.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate is sourced from PubChem (CID 79298581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).