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

C17H14ClFO3 — CID 83952941

IUPAC(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2c(F)cccc2Cl)C(=O)O)cc1C
InChIInChI=1S/C17H14ClFO3/c1-10-8-11(6-7-16(10)22-2)12(17(20)21)9-13-14(18)4-3-5-15(13)19/h3-9H,1-2H3,(H,20,21)/b12-9-
InChIKeyFEYLEPNANWERKI-XFXZXTDPSA-N
MW320.75 g/mol
LogP4.42
Rot. Bonds4

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

(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid (PubChem CID 83952941) has the molecular formula C17H14ClFO3 and a molecular weight of 320.75 g/mol. Its IUPAC name is (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
PubChem CID83952941
Molecular FormulaC17H14ClFO3
Molecular Weight320.75 g/mol
Exact Mass320.06
IUPAC Name(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2c(F)cccc2Cl)C(=O)O)cc1C
InChIInChI=1S/C17H14ClFO3/c1-10-8-11(6-7-16(10)22-2)12(17(20)21)9-13-14(18)4-3-5-15(13)19/h3-9H,1-2H3,(H,20,21)/b12-9-
InChIKeyFEYLEPNANWERKI-XFXZXTDPSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 54.42
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-(2-chloro-6-fluorophenyl)-2-(3-chloro-4-methylphenyl)prop-2-enoic acid
CID 83952947
(E)-3-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 39433513
(Z)-3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethoxyphenyl)prop-2-enoic acid
CID 83952935
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83955379
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952301
(Z)-3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83952932
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952468
(Z)-2-(4-methoxy-3-methylphenyl)but-2-enedioic acid
CID 82116687
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956035
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid (CID 83952941) is (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2c(F)cccc2Cl)C(=O)O)cc1C.
What is the InChIKey of (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The InChIKey is FEYLEPNANWERKI-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H14ClFO3/c1-10-8-11(6-7-16(10)22-2)12(17(20)21)9-13-14(18)4-3-5-15(13)19/h3-9H,1-2H3,(H,20,21)/b12-9-.
What are the key properties of (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid has a molecular weight of 320.75 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).