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

C16H13FO3 — CID 126551737

IUPAC[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H13FO3/c1-3-16(18)20-13-7-4-11(5-8-13)12-6-9-15(19-2)14(17)10-12/h3-10H,1H2,2H3
InChIKeyTVQYHEKPYHQDPT-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.59
Rot. Bonds4

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

[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate (PubChem CID 126551737) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
PubChem CID126551737
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C16H13FO3/c1-3-16(18)20-13-7-4-11(5-8-13)12-6-9-15(19-2)14(17)10-12/h3-10H,1H2,2H3
InChIKeyTVQYHEKPYHQDPT-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.59
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-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
[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-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate?
The IUPAC name of [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate (CID 126551737) is [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate?
The canonical SMILES for [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate?
The InChIKey is TVQYHEKPYHQDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-3-16(18)20-13-7-4-11(5-8-13)12-6-9-15(19-2)14(17)10-12/h3-10H,1H2,2H3.
What are the key properties of [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate?
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate has a molecular weight of 272.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 126551737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).