(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid

C24H22O5 — CID 20989024

IUPAC(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1cccc(OCCOc2ccccc2/C=C(\C(=O)O)c2ccccc2)c1
InChIInChI=1S/C24H22O5/c1-27-20-11-7-12-21(17-20)28-14-15-29-23-13-6-5-10-19(23)16-22(24(25)26)18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b22-16-
InChIKeyWTWBJOCCJBMLRZ-JWGURIENSA-N
MW390.44 g/mol
LogP4.78
Rot. Bonds9

About (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid

(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid (PubChem CID 20989024) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
PubChem CID20989024
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1cccc(OCCOc2ccccc2/C=C(\C(=O)O)c2ccccc2)c1
InChIInChI=1S/C24H22O5/c1-27-20-11-7-12-21(17-20)28-14-15-29-23-13-6-5-10-19(23)16-22(24(25)26)18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b22-16-
InChIKeyWTWBJOCCJBMLRZ-JWGURIENSA-N
XLogP4.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 22680499
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20990227
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 20993089
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20984698
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid (CID 20989024) is (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid is COc1cccc(OCCOc2ccccc2/C=C(\C(=O)O)c2ccccc2)c1.
What is the InChIKey of (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
The InChIKey is WTWBJOCCJBMLRZ-JWGURIENSA-N. The full InChI is InChI=1S/C24H22O5/c1-27-20-11-7-12-21(17-20)28-14-15-29-23-13-6-5-10-19(23)16-22(24(25)26)18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b22-16-.
What are the key properties of (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid has a molecular weight of 390.44 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 20989024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).