(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid

C19H20O5 — CID 83953150

IUPAC(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(OC)c(OC)cc1/C=C(\C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C19H20O5/c1-12-5-7-13(8-6-12)15(19(20)21)9-14-10-17(23-3)18(24-4)11-16(14)22-2/h5-11H,1-4H3,(H,20,21)/b15-9-
InChIKeyWRUBYFQSOZPWND-DHDCSXOGSA-N
MW328.36 g/mol
LogP3.65
Rot. Bonds6

About (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid

(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid (PubChem CID 83953150) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
PubChem CID83953150
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
SMILESCOc1cc(OC)c(OC)cc1/C=C(\C(=O)O)c1ccc(C)cc1
InChIInChI=1S/C19H20O5/c1-12-5-7-13(8-6-12)15(19(20)21)9-14-10-17(23-3)18(24-4)11-16(14)22-2/h5-11H,1-4H3,(H,20,21)/b15-9-
InChIKeyWRUBYFQSOZPWND-DHDCSXOGSA-N
XLogP3.65
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.65
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-(5-bromo-2-methoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 20989568
(Z)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
2-[(E)-2-carboxy-2-(4-methoxyphenyl)ethenyl]-N-hydroxy-4,5-dimethoxybenzeneamine oxide
CID 20835256
(Z)-3-(4,5-dimethoxy-2-nitrophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 112720399
3-(2,5-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 145381862
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954962
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-3-(2-amino-4-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 146079155
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid (CID 83953150) is (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid is COc1cc(OC)c(OC)cc1/C=C(\C(=O)O)c1ccc(C)cc1.
What is the InChIKey of (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid?
The InChIKey is WRUBYFQSOZPWND-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H20O5/c1-12-5-7-13(8-6-12)15(19(20)21)9-14-10-17(23-3)18(24-4)11-16(14)22-2/h5-11H,1-4H3,(H,20,21)/b15-9-.
What are the key properties of (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid?
(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83953150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).