methyl 3-(2-hydroxyethyl)-4-methoxybenzoate

C11H14O4 — CID 10608505

IUPACmethyl 3-(2-hydroxyethyl)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(CCO)c1
InChIInChI=1S/C11H14O4/c1-14-10-4-3-9(11(13)15-2)7-8(10)5-6-12/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFTEYNQOWJNTAIA-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.02
Rot. Bonds4

About methyl 3-(2-hydroxyethyl)-4-methoxybenzoate

methyl 3-(2-hydroxyethyl)-4-methoxybenzoate (PubChem CID 10608505) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-(2-hydroxyethyl)-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxyethyl)-4-methoxybenzoate
PubChem CID10608505
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-(2-hydroxyethyl)-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(CCO)c1
InChIInChI=1S/C11H14O4/c1-14-10-4-3-9(11(13)15-2)7-8(10)5-6-12/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFTEYNQOWJNTAIA-UHFFFAOYSA-N
XLogP1.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
methyl 4-methoxy-3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate
CID 171373954
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
cyclohexyl-[(2-methoxy-5-methoxycarbonylphenyl)methyl]azanium
CID 7175810
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
methyl 3-[(cyclohexylamino)methyl]-4-methoxybenzoate;hydrochloride
CID 90484155
methyl 4-methoxy-3-phenylbenzoate
CID 11010121

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxyethyl)-4-methoxybenzoate?
The IUPAC name of methyl 3-(2-hydroxyethyl)-4-methoxybenzoate (CID 10608505) is methyl 3-(2-hydroxyethyl)-4-methoxybenzoate.
What is the SMILES notation for methyl 3-(2-hydroxyethyl)-4-methoxybenzoate?
The canonical SMILES for methyl 3-(2-hydroxyethyl)-4-methoxybenzoate is COC(=O)c1ccc(OC)c(CCO)c1.
What is the InChIKey of methyl 3-(2-hydroxyethyl)-4-methoxybenzoate?
The InChIKey is FTEYNQOWJNTAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-10-4-3-9(11(13)15-2)7-8(10)5-6-12/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of methyl 3-(2-hydroxyethyl)-4-methoxybenzoate?
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxyethyl)-4-methoxybenzoate is sourced from PubChem (CID 10608505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).