methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate

C12H16O3 — CID 66956173

IUPACmethyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate
SMILESCOC(=O)c1cc(CCO)cc(C)c1C
InChIInChI=1S/C12H16O3/c1-8-6-10(4-5-13)7-11(9(8)2)12(14)15-3/h6-7,13H,4-5H2,1-3H3
InChIKeyWCRGGNVIZUDNSI-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.62
Rot. Bonds3

About methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate

methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate (PubChem CID 66956173) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate
PubChem CID66956173
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate
SMILESCOC(=O)c1cc(CCO)cc(C)c1C
InChIInChI=1S/C12H16O3/c1-8-6-10(4-5-13)7-11(9(8)2)12(14)15-3/h6-7,13H,4-5H2,1-3H3
InChIKeyWCRGGNVIZUDNSI-UHFFFAOYSA-N
XLogP1.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-5-(3-hydroxypropyl)-3-methylbenzoate
CID 77231111
methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
CID 117297589
methyl 5-(2-aminoacetyl)-2,3-dimethylbenzoate
CID 117315602
methyl 5-(4-aminobutyl)-3-fluoro-2-methylbenzoate
CID 117350958
methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate
CID 117302808
4-(3-fluoro-5-methoxycarbonyl-4-methylphenyl)butanoic acid
CID 117388529
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 5-chlorosulfonyl-2,3-dimethylbenzoate
CID 43436740
methyl 5-(chloromethyl)-2-fluoro-3-methylbenzoate
CID 171020674
methyl 5-[(E)-3-methoxyprop-1-enyl]-2,3-dimethylbenzoate
CID 70497670
methyl 5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethylbenzoate
CID 117347120
dimethyl 3,5-dimethylbenzene-1,2-dicarboxylate
CID 11499546

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate?
The IUPAC name of methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate (CID 66956173) is methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate.
What is the SMILES notation for methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate?
The canonical SMILES for methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate is COC(=O)c1cc(CCO)cc(C)c1C.
What is the InChIKey of methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate?
The InChIKey is WCRGGNVIZUDNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-6-10(4-5-13)7-11(9(8)2)12(14)15-3/h6-7,13H,4-5H2,1-3H3.
What are the key properties of methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate?
methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate has a molecular weight of 208.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate is sourced from PubChem (CID 66956173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).