(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid

C19H20O5 — CID 83951771

IUPAC(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
SMILESCCOc1c(/C=C(\C(=O)O)c2cccc(OC)c2)cccc1OC
InChIInChI=1S/C19H20O5/c1-4-24-18-14(8-6-10-17(18)23-3)12-16(19(20)21)13-7-5-9-15(11-13)22-2/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-
InChIKeyAHYZNVLGEWNMFH-VBKFSLOCSA-N
MW328.36 g/mol
LogP3.73
Rot. Bonds7

About (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid

(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid (PubChem CID 83951771) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
PubChem CID83951771
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
SMILESCCOc1c(/C=C(\C(=O)O)c2cccc(OC)c2)cccc1OC
InChIInChI=1S/C19H20O5/c1-4-24-18-14(8-6-10-17(18)23-3)12-16(19(20)21)13-7-5-9-15(11-13)22-2/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-
InChIKeyAHYZNVLGEWNMFH-VBKFSLOCSA-N
XLogP3.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 83951414
(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
CID 83951220
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
2-[(2-ethoxy-3-methoxyphenyl)methylidene]propanedinitrile
CID 19183771
(E)-3-(2-ethoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 82041550
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid (CID 83951771) is (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid is CCOc1c(/C=C(\C(=O)O)c2cccc(OC)c2)cccc1OC.
What is the InChIKey of (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is AHYZNVLGEWNMFH-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H20O5/c1-4-24-18-14(8-6-10-17(18)23-3)12-16(19(20)21)13-7-5-9-15(11-13)22-2/h5-12H,4H2,1-3H3,(H,20,21)/b16-12-.
What are the key properties of (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid?
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83951771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).