(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid

C24H22O5 — CID 22680499

IUPAC(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1cc(/C=C(/C(=O)O)c2ccccc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C24H22O5/c1-27-23-17-18(16-21(24(25)26)19-8-4-2-5-9-19)12-13-22(23)29-15-14-28-20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b21-16+
InChIKeySUYQIHLFTVOKBQ-LTGZKZEYSA-N
MW390.44 g/mol
LogP4.78
Rot. Bonds9

About (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid

(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid (PubChem CID 22680499) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
PubChem CID22680499
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1cc(/C=C(/C(=O)O)c2ccccc2)ccc1OCCOc1ccccc1
InChIInChI=1S/C24H22O5/c1-27-23-17-18(16-21(24(25)26)19-8-4-2-5-9-19)12-13-22(23)29-15-14-28-20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b21-16+
InChIKeySUYQIHLFTVOKBQ-LTGZKZEYSA-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)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 7126688
2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 3518624
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20984698
(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83951988
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(Z)-2-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947
(Z)-3-(3-bromo-4-propoxyphenyl)-2-phenylprop-2-enoic acid
CID 20988508
(Z)-3-(3-butoxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83951529
(Z)-2-(3,4-dimethoxyphenyl)-3-[3-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoic acid
CID 22682522
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid?
The IUPAC name of (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid (CID 22680499) is (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid is COc1cc(/C=C(/C(=O)O)c2ccccc2)ccc1OCCOc1ccccc1.
What is the InChIKey of (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid?
The InChIKey is SUYQIHLFTVOKBQ-LTGZKZEYSA-N. The full InChI is InChI=1S/C24H22O5/c1-27-23-17-18(16-21(24(25)26)19-8-4-2-5-9-19)12-13-22(23)29-15-14-28-20-10-6-3-7-11-20/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b21-16+.
What are the key properties of (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid?
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)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 (E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 22680499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).