methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate

C12H16O3 — CID 117297589

IUPACmethyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
SMILESCOC(=O)c1cc(CCO)c(C)cc1C
InChIInChI=1S/C12H16O3/c1-8-6-9(2)11(12(14)15-3)7-10(8)4-5-13/h6-7,13H,4-5H2,1-3H3
InChIKeyRUXNSKLPFGFPPH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.62
Rot. Bonds3

About methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate

methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate (PubChem CID 117297589) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
PubChem CID117297589
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
SMILESCOC(=O)c1cc(CCO)c(C)cc1C
InChIInChI=1S/C12H16O3/c1-8-6-9(2)11(12(14)15-3)7-10(8)4-5-13/h6-7,13H,4-5H2,1-3H3
InChIKeyRUXNSKLPFGFPPH-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 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate
CID 117302808
methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
CID 117325036
methyl 5-(2-hydroxyethyl)-2,3-dimethylbenzoate
CID 66956173
methyl 4-cyano-5-(hydroxymethyl)-2-methylbenzoate
CID 131589845
methyl 2,4-dimethyl-5-(piperazin-1-ylmethyl)benzoate
CID 117410910
methyl 3-(2-hydroxyethyl)-6-propan-2-ylazulene-1-carboxylate
CID 10084626
(2-chloro-5-methoxycarbonyl-4-methylphenyl)methanesulfinic acid
CID 174329673
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
methyl 5-chlorosulfonyl-2,4-dimethylbenzoate
CID 43436743
methyl 5-(chloromethyl)-4-(difluoromethoxy)-2-methylbenzoate
CID 171019397
methyl 2-hydroxy-5-(3-hydroxypropyl)-3-methylbenzoate
CID 77231111
methyl 5-[1-(aminomethyl)cyclopropyl]-2,4-dimethylbenzoate
CID 117338392

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate?
The IUPAC name of methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate (CID 117297589) is methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate.
What is the SMILES notation for methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate?
The canonical SMILES for methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate is COC(=O)c1cc(CCO)c(C)cc1C.
What is the InChIKey of methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate?
The InChIKey is RUXNSKLPFGFPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-6-9(2)11(12(14)15-3)7-10(8)4-5-13/h6-7,13H,4-5H2,1-3H3.
What are the key properties of methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate?
methyl 5-(2-hydroxyethyl)-2,4-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)-2,4-dimethylbenzoate is sourced from PubChem (CID 117297589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).