(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid

C19H20O3 — CID 83954778

IUPAC(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C=C(\C(=O)O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H20O3/c1-4-22-17-7-5-6-15(11-17)12-18(19(20)21)16-9-8-13(2)14(3)10-16/h5-12H,4H2,1-3H3,(H,20,21)/b18-12-
InChIKeyJWNLWTUVFFXYDP-PDGQHHTCSA-N
MW296.37 g/mol
LogP4.33
Rot. Bonds5

About (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid

(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid (PubChem CID 83954778) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
PubChem CID83954778
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C=C(\C(=O)O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H20O3/c1-4-22-17-7-5-6-15(11-17)12-18(19(20)21)16-9-8-13(2)14(3)10-16/h5-12H,4H2,1-3H3,(H,20,21)/b18-12-
InChIKeyJWNLWTUVFFXYDP-PDGQHHTCSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(Z)-3-(3-chloro-4-ethoxyphenyl)-2-(3,4-dimethylphenyl)prop-2-enoic acid
CID 83953009
(Z)-2-(3,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952414
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820
(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956050
(Z)-3-(3-ethoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
CID 35752809
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(Z)-2-(3-fluoro-4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enoic acid
CID 112720050
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 83954942

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid (CID 83954778) is (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid is CCOc1cccc(/C=C(\C(=O)O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid?
The InChIKey is JWNLWTUVFFXYDP-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-22-17-7-5-6-15(11-17)12-18(19(20)21)16-9-8-13(2)14(3)10-16/h5-12H,4H2,1-3H3,(H,20,21)/b18-12-.
What are the key properties of (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid?
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).