ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate

C14H20O3 — CID 117345048

IUPACethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(CC)ccc1CC
InChIInChI=1S/C14H20O3/c1-4-10-7-8-11(5-2)12(9-10)13(15)14(16)17-6-3/h7-9,13,15H,4-6H2,1-3H3
InChIKeyBBUPGJWXAYPLHM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.41
Rot. Bonds5

About ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate

ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate (PubChem CID 117345048) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
PubChem CID117345048
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(CC)ccc1CC
InChIInChI=1S/C14H20O3/c1-4-10-7-8-11(5-2)12(9-10)13(15)14(16)17-6-3/h7-9,13,15H,4-6H2,1-3H3
InChIKeyBBUPGJWXAYPLHM-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188
2-[2-ethyl-5-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134655936
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
[4-ethyl-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 18510202
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate (CID 117345048) is ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(CC)ccc1CC.
What is the InChIKey of ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
The InChIKey is BBUPGJWXAYPLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-10-7-8-11(5-2)12(9-10)13(15)14(16)17-6-3/h7-9,13,15H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate has a molecular weight of 236.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117345048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).