bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc

C22H24O8Zn — CID 175804048

IUPACbis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
SMILESC=CCc1cc(OC)c(O)c(C(=O)O)c1.C=CCc1cc(OC)c(O)c(C(=O)O)c1.[Zn]
InChIInChI=1S/2C11H12O4.Zn/c2*1-3-4-7-5-8(11(13)14)10(12)9(6-7)15-2;/h2*3,5-6,12H,1,4H2,2H3,(H,13,14);
InChIKeyMKGIXZMUIMCRKX-UHFFFAOYSA-N
MW481.82 g/mol
LogP3.65
Rot. Bonds8

About bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc

bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc (PubChem CID 175804048) has the molecular formula C22H24O8Zn and a molecular weight of 481.82 g/mol. Its IUPAC name is bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc.

Molecular Properties

Compound Namebis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
PubChem CID175804048
Molecular FormulaC22H24O8Zn
Molecular Weight481.82 g/mol
Exact Mass480.08
IUPAC Namebis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
SMILESC=CCc1cc(OC)c(O)c(C(=O)O)c1.C=CCc1cc(OC)c(O)c(C(=O)O)c1.[Zn]
InChIInChI=1S/2C11H12O4.Zn/c2*1-3-4-7-5-8(11(13)14)10(12)9(6-7)15-2;/h2*3,5-6,12H,1,4H2,2H3,(H,13,14);
InChIKeyMKGIXZMUIMCRKX-UHFFFAOYSA-N
XLogP3.65
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.82
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-hydroxy-3-methoxy-5-prop-2-enylbenzoate
CID 142663411
2,6-dimethoxy-4-prop-2-enylbenzoic acid
CID 175319982
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
2-methoxy-6-methyl-4-prop-2-enylphenol;2-methoxy-4-prop-2-enylphenol
CID 158780722
5-amino-2-hydroxy-3-methoxybenzoic acid
CID 50883012
2-(2-amino-3-hydroxypropyl)-6-methoxy-4-prop-2-enylphenol;hydrochloride
CID 170893167
1-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)propan-1-one
CID 51136382
2-hydroxy-3-methoxy-5-[(E)-prop-1-enyl]benzoic acid
CID 84819506
3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)prop-2-enoic acid
CID 69212456
CID 69284850
CID 69284850
2-hydroxy-3-methoxy-5-sulfobenzoic acid
CID 139951526
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc?
The IUPAC name of bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc (CID 175804048) is bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc.
What is the SMILES notation for bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc?
The canonical SMILES for bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc is C=CCc1cc(OC)c(O)c(C(=O)O)c1.C=CCc1cc(OC)c(O)c(C(=O)O)c1.[Zn].
What is the InChIKey of bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc?
The InChIKey is MKGIXZMUIMCRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12O4.Zn/c2*1-3-4-7-5-8(11(13)14)10(12)9(6-7)15-2;/h2*3,5-6,12H,1,4H2,2H3,(H,13,14);.
What are the key properties of bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc?
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc has a molecular weight of 481.82 g/mol, XLogP of 3.65, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc is sourced from PubChem (CID 175804048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).