ethyl 5-(hydroxymethyl)-2-methoxybenzoate

C11H14O4 — CID 131750236

IUPACethyl 5-(hydroxymethyl)-2-methoxybenzoate
SMILESCCOC(=O)c1cc(CO)ccc1OC
InChIInChI=1S/C11H14O4/c1-3-15-11(13)9-6-8(7-12)4-5-10(9)14-2/h4-6,12H,3,7H2,1-2H3
InChIKeyDKGJSBONNWHQJU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.36
Rot. Bonds4

About ethyl 5-(hydroxymethyl)-2-methoxybenzoate

ethyl 5-(hydroxymethyl)-2-methoxybenzoate (PubChem CID 131750236) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 5-(hydroxymethyl)-2-methoxybenzoate.

Molecular Properties

Compound Nameethyl 5-(hydroxymethyl)-2-methoxybenzoate
PubChem CID131750236
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 5-(hydroxymethyl)-2-methoxybenzoate
SMILESCCOC(=O)c1cc(CO)ccc1OC
InChIInChI=1S/C11H14O4/c1-3-15-11(13)9-6-8(7-12)4-5-10(9)14-2/h4-6,12H,3,7H2,1-2H3
InChIKeyDKGJSBONNWHQJU-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 5-(4-cyanobutyl)-2-methoxybenzoate
CID 10967274
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 2-(1-bromo-2-oxopropyl)-5-(hydroxymethyl)benzoate
CID 134641980
5-ethyl-2-methoxybenzoic acid
CID 20721149
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
methyl 5-(aminooxymethyl)-2-methoxybenzoate
CID 59478628
ethyl 2-methoxy-4-(2-methylpropyl)benzoate
CID 141306392

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(hydroxymethyl)-2-methoxybenzoate?
The IUPAC name of ethyl 5-(hydroxymethyl)-2-methoxybenzoate (CID 131750236) is ethyl 5-(hydroxymethyl)-2-methoxybenzoate.
What is the SMILES notation for ethyl 5-(hydroxymethyl)-2-methoxybenzoate?
The canonical SMILES for ethyl 5-(hydroxymethyl)-2-methoxybenzoate is CCOC(=O)c1cc(CO)ccc1OC.
What is the InChIKey of ethyl 5-(hydroxymethyl)-2-methoxybenzoate?
The InChIKey is DKGJSBONNWHQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-11(13)9-6-8(7-12)4-5-10(9)14-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of ethyl 5-(hydroxymethyl)-2-methoxybenzoate?
ethyl 5-(hydroxymethyl)-2-methoxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(hydroxymethyl)-2-methoxybenzoate is sourced from PubChem (CID 131750236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).