5-[(E)-2-carboxyethenyl]-2-methoxyphenolate

C10H9O4- — CID 54706233

IUPAC5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
SMILESCOc1ccc(/C=C/C(=O)O)cc1[O-]
InChIInChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+
InChIKeyQURCVMIEKCOAJU-HWKANZROSA-M
MW193.18 g/mol
LogP0.87
Rot. Bonds3

About 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate

5-[(E)-2-carboxyethenyl]-2-methoxyphenolate (PubChem CID 54706233) has the molecular formula C10H9O4- and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate.

Molecular Properties

Compound Name5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
PubChem CID54706233
Molecular FormulaC10H9O4-
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
SMILESCOc1ccc(/C=C/C(=O)O)cc1[O-]
InChIInChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+
InChIKeyQURCVMIEKCOAJU-HWKANZROSA-M
XLogP0.87
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 123194218
3-(3-methoxy-4-trimethylsilyloxyphenyl)prop-2-enoic acid
CID 71444927
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(E)-3-(3-methoxy-4-sulfanyloxyphenyl)prop-2-enoic acid
CID 145055482
3-(3-methoxy-4-nitrooxyphenyl)prop-2-enoic acid
CID 123996888
chloro(methyl)mercury;3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 67566046
(E)-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoic acid
CID 146640129
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid;ethane;2-methylpropan-2-ol
CID 142376812
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
3-(4-acetyl-3-methoxyphenyl)prop-2-enoic acid
CID 141209631
(E)-3-[4-(fluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 168908115
trisodium;hydride;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 174973622

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate?
The IUPAC name of 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate (CID 54706233) is 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate.
What is the SMILES notation for 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate?
The canonical SMILES for 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate is COc1ccc(/C=C/C(=O)O)cc1[O-].
What is the InChIKey of 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate?
The InChIKey is QURCVMIEKCOAJU-HWKANZROSA-M. The full InChI is InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+.
What are the key properties of 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate?
5-[(E)-2-carboxyethenyl]-2-methoxyphenolate has a molecular weight of 193.18 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-carboxyethenyl]-2-methoxyphenolate is sourced from PubChem (CID 54706233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).