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

C13H18O3 — CID 117318188

IUPACmethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
SMILESCCc1ccc(CC)c(C(O)C(=O)OC)c1
InChIInChI=1S/C13H18O3/c1-4-9-6-7-10(5-2)11(8-9)12(14)13(15)16-3/h6-8,12,14H,4-5H2,1-3H3
InChIKeyRIPGAUMECCOEBO-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.02
Rot. Bonds4

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

methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate (PubChem CID 117318188) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
PubChem CID117318188
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namemethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
SMILESCCc1ccc(CC)c(C(O)C(=O)OC)c1
InChIInChI=1S/C13H18O3/c1-4-9-6-7-10(5-2)11(8-9)12(14)13(15)16-3/h6-8,12,14H,4-5H2,1-3H3
InChIKeyRIPGAUMECCOEBO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117345048
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-(3-bromo-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466749
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
methyl 2-[5-(fluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetate
CID 117305027
methyl 2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117420063
2-[2-ethyl-5-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134655936
1-amino-4-(2,5-diethylphenyl)pentan-2-ol
CID 83921003
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
ethylbenzene;methyl 2-methylpropanoate
CID 139213498
methyl 2-[2-(1-chloro-2-oxopropyl)-4-ethylphenyl]acetate
CID 165350214

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate (CID 117318188) is methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate is CCc1ccc(CC)c(C(O)C(=O)OC)c1.
What is the InChIKey of methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
The InChIKey is RIPGAUMECCOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-9-6-7-10(5-2)11(8-9)12(14)13(15)16-3/h6-8,12,14H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate?
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate has a molecular weight of 222.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117318188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).