4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc

C15H14O5Zn — CID 88663945

IUPAC4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
SMILESCCOc1ccc(C(=O)O)c(O)c1.[Zn].c1ccc2c(c1)O2
InChIInChI=1S/C9H10O4.C6H4O.Zn/c1-2-13-6-3-4-7(9(11)12)8(10)5-6;1-2-4-6-5(3-1)7-6;/h3-5,10H,2H2,1H3,(H,11,12);1-4H;
InChIKeyIWODGKSVRLWSCA-UHFFFAOYSA-N
MW339.66 g/mol
LogP3.28
Rot. Bonds3

About 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc

4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc (PubChem CID 88663945) has the molecular formula C15H14O5Zn and a molecular weight of 339.66 g/mol. Its IUPAC name is 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc.

Molecular Properties

Compound Name4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
PubChem CID88663945
Molecular FormulaC15H14O5Zn
Molecular Weight339.66 g/mol
Exact Mass338.01
IUPAC Name4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
SMILESCCOc1ccc(C(=O)O)c(O)c1.[Zn].c1ccc2c(c1)O2
InChIInChI=1S/C9H10O4.C6H4O.Zn/c1-2-13-6-3-4-7(9(11)12)8(10)5-6;1-2-4-6-5(3-1)7-6;/h3-5,10H,2H2,1H3,(H,11,12);1-4H;
InChIKeyIWODGKSVRLWSCA-UHFFFAOYSA-N
XLogP3.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
4-ethoxy-2-hydroxybenzoic acid;2-(2-phenylethyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 19106290
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064
4-[(2-fluorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91682681
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc?
The IUPAC name of 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc (CID 88663945) is 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc.
What is the SMILES notation for 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc?
The canonical SMILES for 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc is CCOc1ccc(C(=O)O)c(O)c1.[Zn].c1ccc2c(c1)O2.
What is the InChIKey of 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc?
The InChIKey is IWODGKSVRLWSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4.C6H4O.Zn/c1-2-13-6-3-4-7(9(11)12)8(10)5-6;1-2-4-6-5(3-1)7-6;/h3-5,10H,2H2,1H3,(H,11,12);1-4H;.
What are the key properties of 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc?
4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc has a molecular weight of 339.66 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc is sourced from PubChem (CID 88663945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).