(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid

C19H20O4 — CID 83954828

IUPAC(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C=C(\C(=O)O)c2cccc(OCC)c2)c1
InChIInChI=1S/C19H20O4/c1-3-22-16-9-5-7-14(11-16)12-18(19(20)21)15-8-6-10-17(13-15)23-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)/b18-12-
InChIKeyQXGLYLGGKYLGLW-PDGQHHTCSA-N
MW312.37 g/mol
LogP4.11
Rot. Bonds7

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

(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid (PubChem CID 83954828) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
PubChem CID83954828
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C=C(\C(=O)O)c2cccc(OCC)c2)c1
InChIInChI=1S/C19H20O4/c1-3-22-16-9-5-7-14(11-16)12-18(19(20)21)15-8-6-10-17(13-15)23-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)/b18-12-
InChIKeyQXGLYLGGKYLGLW-PDGQHHTCSA-N
XLogP4.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.11
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

(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956050
(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 83954942
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820
(Z)-3-(3-ethoxyphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)prop-2-enoic acid
CID 35752809
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid (CID 83954828) is (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid is CCOc1cccc(/C=C(\C(=O)O)c2cccc(OCC)c2)c1.
What is the InChIKey of (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid?
The InChIKey is QXGLYLGGKYLGLW-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H20O4/c1-3-22-16-9-5-7-14(11-16)12-18(19(20)21)15-8-6-10-17(13-15)23-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)/b18-12-.
What are the key properties of (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid?
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid has a molecular weight of 312.37 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).