2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate

C10H9O5- — CID 90657637

IUPAC2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate
SMILESCOc1cc(/C=C\C(=O)O)c([O-])cc1O
InChIInChI=1S/C10H10O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5,11-12H,1H3,(H,13,14)/p-1/b3-2-
InChIKeyQVTORZSLDIMFQS-IHWYPQMZSA-M
MW209.18 g/mol
LogP0.57
Rot. Bonds3

About 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate

2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate (PubChem CID 90657637) has the molecular formula C10H9O5- and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate.

Molecular Properties

Compound Name2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate
PubChem CID90657637
Molecular FormulaC10H9O5-
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate
SMILESCOc1cc(/C=C\C(=O)O)c([O-])cc1O
InChIInChI=1S/C10H10O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5,11-12H,1H3,(H,13,14)/p-1/b3-2-
InChIKeyQVTORZSLDIMFQS-IHWYPQMZSA-M
XLogP0.57
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 25201765
2-[(Z)-2-carboxyethenyl]-4-[(1S)-1-hydroxy-3-methylbutyl]-5-methoxyphenolate
CID 140642224
3-(2-fluoro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 53403843
(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 735828
3-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 57362942
4-(2-carboxyethenyl)-2-hydroxy-6-methoxyphenolate
CID 54725791
5-[(E)-2-carboxyethenyl]-2-methoxyphenolate
CID 54706233
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
(E)-3-(2-bromo-5-methoxy-4-nitrophenyl)prop-2-enoic acid
CID 171007757
magnesium;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;(E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 102269379
magnesium;3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;3-(3-methoxy-4-oxidophenyl)prop-2-enoate
CID 154734960
3-(2,4-dimethoxy-5-methylphenyl)prop-2-enoic acid
CID 67628018

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate?
The IUPAC name of 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate (CID 90657637) is 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate.
What is the SMILES notation for 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate?
The canonical SMILES for 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate is COc1cc(/C=C\C(=O)O)c([O-])cc1O.
What is the InChIKey of 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate?
The InChIKey is QVTORZSLDIMFQS-IHWYPQMZSA-M. The full InChI is InChI=1S/C10H10O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5,11-12H,1H3,(H,13,14)/p-1/b3-2-.
What are the key properties of 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate?
2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate has a molecular weight of 209.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-carboxyethenyl]-5-hydroxy-4-methoxyphenolate is sourced from PubChem (CID 90657637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).