methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate

C11H14O5 — CID 177233535

IUPACmethyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(O)c1OC
InChIInChI=1S/C11H14O5/c1-4-16-9-6-7(11(13)15-3)5-8(12)10(9)14-2/h5-6,12H,4H2,1-3H3
InChIKeyYJPULUJRFWJWQW-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.59
Rot. Bonds4

About methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate

methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate (PubChem CID 177233535) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
PubChem CID177233535
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OC)cc(O)c1OC
InChIInChI=1S/C11H14O5/c1-4-16-9-6-7(11(13)15-3)5-8(12)10(9)14-2/h5-6,12H,4H2,1-3H3
InChIKeyYJPULUJRFWJWQW-UHFFFAOYSA-N
XLogP1.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethoxy-3,5-dihydroxybenzoate
CID 141013441
methyl 3-ethoxy-4-hydroxy-5-iodobenzoate
CID 90422929
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
methyl 3,4,5-tripropoxybenzoate
CID 19820325
dimethyl 5-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate
CID 3951324
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
CID 11358292
3-(3-ethoxy-5-hydroxy-4-methoxyphenyl)-3-methylbutanoic acid
CID 117424461
methyl 3-chloro-5-ethoxy-4-(2-methylpropoxy)benzoate
CID 83952664
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
3-amino-2-(3-ethoxy-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117390839

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate?
The IUPAC name of methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate (CID 177233535) is methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate.
What is the SMILES notation for methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate?
The canonical SMILES for methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate is CCOc1cc(C(=O)OC)cc(O)c1OC.
What is the InChIKey of methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate?
The InChIKey is YJPULUJRFWJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-4-16-9-6-7(11(13)15-3)5-8(12)10(9)14-2/h5-6,12H,4H2,1-3H3.
What are the key properties of methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate?
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate has a molecular weight of 226.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 177233535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).