[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate

C22H17FO3 — CID 135163056

IUPAC[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(-c3ccc(OC)c(F)c3)cc2)cc1
InChIInChI=1S/C22H17FO3/c1-3-22(24)26-19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-21(25-2)20(23)14-18/h3-14H,1H2,2H3
InChIKeyUTIDECOPSMYEKT-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.26
Rot. Bonds5

About [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate

[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate (PubChem CID 135163056) has the molecular formula C22H17FO3 and a molecular weight of 348.37 g/mol. Its IUPAC name is [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
PubChem CID135163056
Molecular FormulaC22H17FO3
Molecular Weight348.37 g/mol
Exact Mass348.12
IUPAC Name[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(-c3ccc(OC)c(F)c3)cc2)cc1
InChIInChI=1S/C22H17FO3/c1-3-22(24)26-19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-21(25-2)20(23)14-18/h3-14H,1H2,2H3
InChIKeyUTIDECOPSMYEKT-UHFFFAOYSA-N
XLogP5.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[2-fluoro-4-(4-methoxyphenyl)phenyl] 3-[3,4-di(prop-2-enoyloxy)phenyl]propanoate
CID 134467370
ethane;[4-[3-methoxy-4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate;prop-2-enal
CID 144772034
4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
CID 135190575
2-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]ethyl prop-2-enoate
CID 122660279
[4-[3-fluoro-4-(4-formyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 129143052
[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate?
The IUPAC name of [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate (CID 135163056) is [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate.
What is the SMILES notation for [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate?
The canonical SMILES for [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(-c3ccc(OC)c(F)c3)cc2)cc1.
What is the InChIKey of [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate?
The InChIKey is UTIDECOPSMYEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FO3/c1-3-22(24)26-19-11-8-16(9-12-19)15-4-6-17(7-5-15)18-10-13-21(25-2)20(23)14-18/h3-14H,1H2,2H3.
What are the key properties of [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate?
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate has a molecular weight of 348.37 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate is sourced from PubChem (CID 135163056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).