[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate

C17H15FO2 — CID 118147418

IUPAC[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C17H15FO2/c1-11(2)17(19)20-16-9-8-14(10-15(16)18)13-6-4-12(3)5-7-13/h4-10H,1H2,2-3H3
InChIKeyXSPXWJYTGQXUSO-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.28
Rot. Bonds3

About [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate

[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 118147418) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID118147418
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(C)cc2)cc1F
InChIInChI=1S/C17H15FO2/c1-11(2)17(19)20-16-9-8-14(10-15(16)18)13-6-4-12(3)5-7-13/h4-10H,1H2,2-3H3
InChIKeyXSPXWJYTGQXUSO-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 20751930
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
[2-fluoro-4-[3-fluoro-4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 139334672
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577
[2-fluoro-4-[4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 145261223
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[4-[3,5-dimethyl-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 160953819
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2,2-dimethylpropanoate
CID 123859722
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 3-methylbut-3-enoate
CID 145418981
[2-fluoro-4-(2-fluorophenyl)phenyl] 2-methylprop-2-enoate
CID 138567323
[2-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 126548046
[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 121372601

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate (CID 118147418) is [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(C)cc2)cc1F.
What is the InChIKey of [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is XSPXWJYTGQXUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-11(2)17(19)20-16-9-8-14(10-15(16)18)13-6-4-12(3)5-7-13/h4-10H,1H2,2-3H3.
What are the key properties of [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate?
[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate has a molecular weight of 270.30 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 118147418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).