(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid

C24H22O4 — CID 20985536

IUPAC(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C\c2ccc(Oc3cccc(C)c3C)cc2)C(=O)O)cc1
InChIInChI=1S/C24H22O4/c1-16-5-4-6-23(17(16)2)28-21-11-7-18(8-12-21)15-22(24(25)26)19-9-13-20(27-3)14-10-19/h4-15H,1-3H3,(H,25,26)/b22-15+
InChIKeyZURVJERKYUSOFC-PXLXIMEGSA-N
MW374.44 g/mol
LogP5.73
Rot. Bonds6

About (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid

(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 20985536) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID20985536
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C\c2ccc(Oc3cccc(C)c3C)cc2)C(=O)O)cc1
InChIInChI=1S/C24H22O4/c1-16-5-4-6-23(17(16)2)28-21-11-7-18(8-12-21)15-22(24(25)26)19-9-13-20(27-3)14-10-19/h4-15H,1-3H3,(H,25,26)/b22-15+
InChIKeyZURVJERKYUSOFC-PXLXIMEGSA-N
XLogP5.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
CID 114065883
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83955695
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-3-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20984254
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid (CID 20985536) is (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C(=C\c2ccc(Oc3cccc(C)c3C)cc2)C(=O)O)cc1.
What is the InChIKey of (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is ZURVJERKYUSOFC-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H22O4/c1-16-5-4-6-23(17(16)2)28-21-11-7-18(8-12-21)15-22(24(25)26)19-9-13-20(27-3)14-10-19/h4-15H,1-3H3,(H,25,26)/b22-15+.
What are the key properties of (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
(E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 374.44 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 20985536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).