(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid

C16H11Cl2FO2 — CID 83952947

IUPAC(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2c(F)cccc2Cl)C(=O)O)cc1Cl
InChIInChI=1S/C16H11Cl2FO2/c1-9-5-6-10(7-14(9)18)11(16(20)21)8-12-13(17)3-2-4-15(12)19/h2-8H,1H3,(H,20,21)/b11-8-
InChIKeyUWRSOUCJOMVEIZ-FLIBITNWSA-N
MW325.17 g/mol
LogP5.07
Rot. Bonds3

About (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid

(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid (PubChem CID 83952947) has the molecular formula C16H11Cl2FO2 and a molecular weight of 325.17 g/mol. Its IUPAC name is (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid
PubChem CID83952947
Molecular FormulaC16H11Cl2FO2
Molecular Weight325.17 g/mol
Exact Mass324.01
IUPAC Name(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2c(F)cccc2Cl)C(=O)O)cc1Cl
InChIInChI=1S/C16H11Cl2FO2/c1-9-5-6-10(7-14(9)18)11(16(20)21)8-12-13(17)3-2-4-15(12)19/h2-8H,1H3,(H,20,21)/b11-8-
InChIKeyUWRSOUCJOMVEIZ-FLIBITNWSA-N
XLogP5.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.17
LogP ≤ 55.07
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-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952941
(Z)-3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83952932
(Z)-2-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 83950650
(Z)-3-(4-tert-butylphenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid
CID 83954326
(Z)-2-(3-chloro-4-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 83954935
(Z)-3-(2,6-dichlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
CID 83955455
(Z)-3-(2,4-dichlorophenyl)-2-(3-fluoro-4-methylphenyl)prop-2-enoic acid
CID 83954746
(Z)-3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 83952935
(Z)-2-(3-chloro-4-methylphenyl)-3-[4-(diethylamino)phenyl]prop-2-enoic acid
CID 83951117
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(Z)-2-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)prop-2-enoic acid
CID 83955485
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 6031428

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid (CID 83952947) is (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid is Cc1ccc(/C(=C/c2c(F)cccc2Cl)C(=O)O)cc1Cl.
What is the InChIKey of (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid?
The InChIKey is UWRSOUCJOMVEIZ-FLIBITNWSA-N. The full InChI is InChI=1S/C16H11Cl2FO2/c1-9-5-6-10(7-14(9)18)11(16(20)21)8-12-13(17)3-2-4-15(12)19/h2-8H,1H3,(H,20,21)/b11-8-.
What are the key properties of (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid?
(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid has a molecular weight of 325.17 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).