(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid

C18H18O3 — CID 83955083

IUPAC(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C(=C/c2ccc(C)cc2)C(=O)O)c1
InChIInChI=1S/C18H18O3/c1-3-21-16-6-4-5-15(12-16)17(18(19)20)11-14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,19,20)/b17-11-
InChIKeyMRZJSRYKTVCEAJ-BOPFTXTBSA-N
MW282.34 g/mol
LogP4.02
Rot. Bonds5

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

(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid (PubChem CID 83955083) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
PubChem CID83955083
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
SMILESCCOc1cccc(/C(=C/c2ccc(C)cc2)C(=O)O)c1
InChIInChI=1S/C18H18O3/c1-3-21-16-6-4-5-15(12-16)17(18(19)20)11-14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,19,20)/b17-11-
InChIKeyMRZJSRYKTVCEAJ-BOPFTXTBSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.02
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

4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 83954942
(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956050
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20984698
(Z)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid (CID 83955083) is (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid is CCOc1cccc(/C(=C/c2ccc(C)cc2)C(=O)O)c1.
What is the InChIKey of (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
The InChIKey is MRZJSRYKTVCEAJ-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-21-16-6-4-5-15(12-16)17(18(19)20)11-14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,19,20)/b17-11-.
What are the key properties of (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid?
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid has a molecular weight of 282.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).