ethyl 4-hydroxy-3-methoxybenzoate

C10H12O4 — CID 12038

IUPACethyl 4-hydroxy-3-methoxybenzoate
SMILESCCOC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
InChIKeyMWAYRGBWOVHDDZ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.58
Rot. Bonds3

About ethyl 4-hydroxy-3-methoxybenzoate

ethyl 4-hydroxy-3-methoxybenzoate (PubChem CID 12038) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethyl 4-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-3-methoxybenzoate
PubChem CID12038
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameethyl 4-hydroxy-3-methoxybenzoate
SMILESCCOC(=O)c1ccc(O)c(OC)c1
InChIInChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3
InChIKeyMWAYRGBWOVHDDZ-UHFFFAOYSA-N
XLogP1.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-3-methoxybenzoate?
The IUPAC name of ethyl 4-hydroxy-3-methoxybenzoate (CID 12038) is ethyl 4-hydroxy-3-methoxybenzoate.
What is the SMILES notation for ethyl 4-hydroxy-3-methoxybenzoate?
The canonical SMILES for ethyl 4-hydroxy-3-methoxybenzoate is CCOC(=O)c1ccc(O)c(OC)c1.
What is the InChIKey of ethyl 4-hydroxy-3-methoxybenzoate?
The InChIKey is MWAYRGBWOVHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-3-methoxybenzoate?
ethyl 4-hydroxy-3-methoxybenzoate has a molecular weight of 196.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 12038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).