(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid

C24H26O9 — CID 89026724

IUPAC(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
SMILESCOc1cc(OCCOCCOc2ccc(/C=C/C(=O)O)c(OC)c2)ccc1/C=C\C(=O)O
InChIInChI=1S/C24H26O9/c1-29-21-15-19(7-3-17(21)5-9-23(25)26)32-13-11-31-12-14-33-20-8-4-18(6-10-24(27)28)22(16-20)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)(H,27,28)/b9-5-,10-6+
InChIKeyYVORCSHEGXYQHZ-VTBWALSUSA-N
MW458.46 g/mol
LogP3.37
Rot. Bonds14

About (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid

(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid (PubChem CID 89026724) has the molecular formula C24H26O9 and a molecular weight of 458.46 g/mol. Its IUPAC name is (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
PubChem CID89026724
Molecular FormulaC24H26O9
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC Name(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid
SMILESCOc1cc(OCCOCCOc2ccc(/C=C/C(=O)O)c(OC)c2)ccc1/C=C\C(=O)O
InChIInChI=1S/C24H26O9/c1-29-21-15-19(7-3-17(21)5-9-23(25)26)32-13-11-31-12-14-33-20-8-4-18(6-10-24(27)28)22(16-20)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)(H,27,28)/b9-5-,10-6+
InChIKeyYVORCSHEGXYQHZ-VTBWALSUSA-N
XLogP3.37
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid 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-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683689
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
(E)-3-[2-[(3,5-dichloro-2-pyridinyl)oxy]-4-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 68548203
3-[4-methoxy-2-[2-(trifluoromethoxy)ethoxy]phenyl]prop-2-enoic acid
CID 77100285
(E)-3-[2-(2-fluoroethoxy)-4-propoxyphenyl]prop-2-enoic acid
CID 80694777
3-[2-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]prop-2-enoic acid
CID 22683597
(E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoic acid
CID 42638699
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
(E)-3-[2-(cyanomethoxy)-4-propoxyphenyl]prop-2-enoic acid
CID 43472410
3-(2-but-3-enoxy-4-propoxyphenyl)prop-2-enoic acid
CID 77034133
3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid
CID 77073969

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid (CID 89026724) is (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid is COc1cc(OCCOCCOc2ccc(/C=C/C(=O)O)c(OC)c2)ccc1/C=C\C(=O)O.
What is the InChIKey of (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid?
The InChIKey is YVORCSHEGXYQHZ-VTBWALSUSA-N. The full InChI is InChI=1S/C24H26O9/c1-29-21-15-19(7-3-17(21)5-9-23(25)26)32-13-11-31-12-14-33-20-8-4-18(6-10-24(27)28)22(16-20)30-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)(H,27,28)/b9-5-,10-6+.
What are the key properties of (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid?
(Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid has a molecular weight of 458.46 g/mol, XLogP of 3.37, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[2-[2-[4-[(E)-2-carboxyethenyl]-3-methoxyphenoxy]ethoxy]ethoxy]-2-methoxyphenyl]prop-2-enoic acid is sourced from PubChem (CID 89026724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).