(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid

C17H14Cl2O2 — CID 83955455

IUPAC(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2c(Cl)cccc2Cl)C(=O)O)c(C)c1
InChIInChI=1S/C17H14Cl2O2/c1-10-6-7-12(11(2)8-10)13(17(20)21)9-14-15(18)4-3-5-16(14)19/h3-9H,1-2H3,(H,20,21)/b13-9-
InChIKeyVNYOSOYQVVTGTG-LCYFTJDESA-N
MW321.20 g/mol
LogP5.24
Rot. Bonds3

About (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid

(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid (PubChem CID 83955455) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
PubChem CID83955455
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2c(Cl)cccc2Cl)C(=O)O)c(C)c1
InChIInChI=1S/C17H14Cl2O2/c1-10-6-7-12(11(2)8-10)13(17(20)21)9-14-15(18)4-3-5-16(14)19/h3-9H,1-2H3,(H,20,21)/b13-9-
InChIKeyVNYOSOYQVVTGTG-LCYFTJDESA-N
XLogP5.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.20
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-chloro-6-fluorophenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83952932
(Z)-3-(4-chlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
CID 83954536
(Z)-2-(2,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952415
(Z)-2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enoic acid
CID 83955660
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid
CID 83952947
(Z)-3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
CID 83953511
(Z)-2-(2,4-dimethylphenyl)-3-(4-nitrophenyl)prop-2-enoic acid
CID 112721174
(3-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 64712749
(Z)-3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 83952935
(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952941
(Z)-2-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)prop-2-enoic acid
CID 83955485

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid (CID 83955455) is (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid is Cc1ccc(/C(=C/c2c(Cl)cccc2Cl)C(=O)O)c(C)c1.
What is the InChIKey of (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid?
The InChIKey is VNYOSOYQVVTGTG-LCYFTJDESA-N. The full InChI is InChI=1S/C17H14Cl2O2/c1-10-6-7-12(11(2)8-10)13(17(20)21)9-14-15(18)4-3-5-16(14)19/h3-9H,1-2H3,(H,20,21)/b13-9-.
What are the key properties of (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid?
(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid has a molecular weight of 321.20 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).