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

C17H15FO3 — CID 83955695

IUPAC(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(F)cc2)C(=O)O)c(C)c1
InChIInChI=1S/C17H15FO3/c1-11-9-14(21-2)7-8-15(11)16(17(19)20)10-12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,20)/b16-10-
InChIKeyTYQKRXFCRUESEQ-YBEGLDIGSA-N
MW286.30 g/mol
LogP3.77
Rot. Bonds4

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

(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid (PubChem CID 83955695) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
PubChem CID83955695
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(F)cc2)C(=O)O)c(C)c1
InChIInChI=1S/C17H15FO3/c1-11-9-14(21-2)7-8-15(11)16(17(19)20)10-12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,20)/b16-10-
InChIKeyTYQKRXFCRUESEQ-YBEGLDIGSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.77
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)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956040
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
(Z)-2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enoic acid
CID 83955660
(Z)-2-(4-methoxy-2-methylphenyl)-3-(4-methyl-3-nitrophenyl)prop-2-enoic acid
CID 112720828
(Z)-3-(4-fluorophenyl)-2-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
CID 83955702
(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
CID 83951656
(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 83951576
(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83954749
(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788230
(Z)-2-(2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950731
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid (CID 83955695) is (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2ccc(F)cc2)C(=O)O)c(C)c1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
The InChIKey is TYQKRXFCRUESEQ-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H15FO3/c1-11-9-14(21-2)7-8-15(11)16(17(19)20)10-12-3-5-13(18)6-4-12/h3-10H,1-2H3,(H,19,20)/b16-10-.
What are the key properties of (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid has a molecular weight of 286.30 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).