(E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid

C17H14ClFO3 — CID 118672318

IUPAC(E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid
SMILESO=C(O)/C(O)=C(/CCc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C17H14ClFO3/c18-13-7-4-11(5-8-13)6-9-15(16(20)17(21)22)12-2-1-3-14(19)10-12/h1-5,7-8,10,20H,6,9H2,(H,21,22)/b16-15+
InChIKeyWDKNDZDAVPSVQU-FOCLMDBBSA-N
MW320.75 g/mol
LogP4.47
Rot. Bonds5

About (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid

(E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid (PubChem CID 118672318) has the molecular formula C17H14ClFO3 and a molecular weight of 320.75 g/mol. Its IUPAC name is (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid
PubChem CID118672318
Molecular FormulaC17H14ClFO3
Molecular Weight320.75 g/mol
Exact Mass320.06
IUPAC Name(E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid
SMILESO=C(O)/C(O)=C(/CCc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C17H14ClFO3/c18-13-7-4-11(5-8-13)6-9-15(16(20)17(21)22)12-2-1-3-14(19)10-12/h1-5,7-8,10,20H,6,9H2,(H,21,22)/b16-15+
InChIKeyWDKNDZDAVPSVQU-FOCLMDBBSA-N
XLogP4.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid?
The IUPAC name of (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid (CID 118672318) is (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid.
What is the SMILES notation for (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid?
The canonical SMILES for (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid is O=C(O)/C(O)=C(/CCc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid?
The InChIKey is WDKNDZDAVPSVQU-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H14ClFO3/c18-13-7-4-11(5-8-13)6-9-15(16(20)17(21)22)12-2-1-3-14(19)10-12/h1-5,7-8,10,20H,6,9H2,(H,21,22)/b16-15+.
What are the key properties of (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid?
(E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid has a molecular weight of 320.75 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-chlorophenyl)-3-(3-fluorophenyl)-2-hydroxypent-2-enoic acid is sourced from PubChem (CID 118672318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).