(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid

C21H24O6 — CID 20984861

IUPAC(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1cc(OC)ccc1/C=C(\C(=O)O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24O6/c1-5-10-27-19-13-16(24-2)8-6-15(19)11-17(21(22)23)14-7-9-18(25-3)20(12-14)26-4/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/b17-11-
InChIKeyUXKMHHGVXKNGHL-BOPFTXTBSA-N
MW372.42 g/mol
LogP4.13
Rot. Bonds9

About (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid

(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid (PubChem CID 20984861) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
PubChem CID20984861
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
SMILESCCCOc1cc(OC)ccc1/C=C(\C(=O)O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C21H24O6/c1-5-10-27-19-13-16(24-2)8-6-15(19)11-17(21(22)23)14-7-9-18(25-3)20(12-14)26-4/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/b17-11-
InChIKeyUXKMHHGVXKNGHL-BOPFTXTBSA-N
XLogP4.13
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833
(E)-3-(3-ethoxy-4-propoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20987581
(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 20993089
(Z)-2-(4-hydroxyphenyl)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 83953947
(Z)-2-(4-hydroxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoic acid
CID 83952138
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-2-(3,4-dimethoxyphenyl)-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 20990461
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(Z)-3-(5-bromo-2-methoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 20989568

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid (CID 20984861) is (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid is CCCOc1cc(OC)ccc1/C=C(\C(=O)O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
The InChIKey is UXKMHHGVXKNGHL-BOPFTXTBSA-N. The full InChI is InChI=1S/C21H24O6/c1-5-10-27-19-13-16(24-2)8-6-15(19)11-17(21(22)23)14-7-9-18(25-3)20(12-14)26-4/h6-9,11-13H,5,10H2,1-4H3,(H,22,23)/b17-11-.
What are the key properties of (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid?
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid has a molecular weight of 372.42 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 20984861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).