ethyl 4-ethenyl-3,5-dihydroxybenzoate

C11H12O4 — CID 102254331

IUPACethyl 4-ethenyl-3,5-dihydroxybenzoate
SMILESC=Cc1c(O)cc(C(=O)OCC)cc1O
InChIInChI=1S/C11H12O4/c1-3-8-9(12)5-7(6-10(8)13)11(14)15-4-2/h3,5-6,12-13H,1,4H2,2H3
InChIKeyKMSXUOHAJKIDET-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.92
Rot. Bonds3

About ethyl 4-ethenyl-3,5-dihydroxybenzoate

ethyl 4-ethenyl-3,5-dihydroxybenzoate (PubChem CID 102254331) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is ethyl 4-ethenyl-3,5-dihydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-ethenyl-3,5-dihydroxybenzoate
PubChem CID102254331
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Nameethyl 4-ethenyl-3,5-dihydroxybenzoate
SMILESC=Cc1c(O)cc(C(=O)OCC)cc1O
InChIInChI=1S/C11H12O4/c1-3-8-9(12)5-7(6-10(8)13)11(14)15-4-2/h3,5-6,12-13H,1,4H2,2H3
InChIKeyKMSXUOHAJKIDET-UHFFFAOYSA-N
XLogP1.92
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-3,5-dihydroxybenzoate
CID 130058658
ethyl 4-bromo-3,5-dihydroxybenzoate
CID 57419684
ethyl 3-bromo-4,5-dihydroxybenzoate
CID 118096682
ethyl 3,4-dihydroxy-5-oxaldehydoylbenzoate
CID 23435285
ethyl 3,5-bis(aminomethyl)benzoate
CID 174906778
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 3-bromo-4-fluoro-5-hydroxybenzoate
CID 131014971
butan-1-ol;ethyl 3,4,5-trihydroxybenzoate
CID 141464101
ethyl 4-bromo-3-fluoro-5-hydroxybenzoate
CID 131124712
ethyl 5-hydroxy-6-methylpyridine-3-carboxylate
CID 15619972
ethyl 4-prop-2-enoylbenzoate
CID 14093547
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethenyl-3,5-dihydroxybenzoate?
The IUPAC name of ethyl 4-ethenyl-3,5-dihydroxybenzoate (CID 102254331) is ethyl 4-ethenyl-3,5-dihydroxybenzoate.
What is the SMILES notation for ethyl 4-ethenyl-3,5-dihydroxybenzoate?
The canonical SMILES for ethyl 4-ethenyl-3,5-dihydroxybenzoate is C=Cc1c(O)cc(C(=O)OCC)cc1O.
What is the InChIKey of ethyl 4-ethenyl-3,5-dihydroxybenzoate?
The InChIKey is KMSXUOHAJKIDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-3-8-9(12)5-7(6-10(8)13)11(14)15-4-2/h3,5-6,12-13H,1,4H2,2H3.
What are the key properties of ethyl 4-ethenyl-3,5-dihydroxybenzoate?
ethyl 4-ethenyl-3,5-dihydroxybenzoate has a molecular weight of 208.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethenyl-3,5-dihydroxybenzoate is sourced from PubChem (CID 102254331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).