(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid

C19H20O3 — CID 83952197

IUPAC(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2cccc(OC(C)C)c2)C(=O)O)cc1
InChIInChI=1S/C19H20O3/c1-13(2)22-17-6-4-5-15(11-17)12-18(19(20)21)16-9-7-14(3)8-10-16/h4-13H,1-3H3,(H,20,21)/b18-12-
InChIKeyWQYFRTDYPRVMMX-PDGQHHTCSA-N
MW296.37 g/mol
LogP4.41
Rot. Bonds5

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

(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid (PubChem CID 83952197) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid
PubChem CID83952197
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2cccc(OC(C)C)c2)C(=O)O)cc1
InChIInChI=1S/C19H20O3/c1-13(2)22-17-6-4-5-15(11-17)12-18(19(20)21)16-9-7-14(3)8-10-16/h4-13H,1-3H3,(H,20,21)/b18-12-
InChIKeyWQYFRTDYPRVMMX-PDGQHHTCSA-N
XLogP4.41
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 ≤ 54.41
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)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid
CID 83952437
(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542
(Z)-2-(4-hydroxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951842
(Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721309
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
CID 83955419
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
(Z)-2-(2,5-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951821

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid (CID 83952197) is (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid is Cc1ccc(/C(=C/c2cccc(OC(C)C)c2)C(=O)O)cc1.
What is the InChIKey of (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid?
The InChIKey is WQYFRTDYPRVMMX-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H20O3/c1-13(2)22-17-6-4-5-15(11-17)12-18(19(20)21)16-9-7-14(3)8-10-16/h4-13H,1-3H3,(H,20,21)/b18-12-.
What are the key properties of (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid?
(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid has a molecular weight of 296.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).