[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate

C17H15FO2 — CID 121372601

IUPAC[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H15FO2/c1-11(2)17(19)20-15-8-6-13(7-9-15)14-5-4-12(3)16(18)10-14/h4-10H,1H2,2-3H3
InChIKeyFCNISMAKAUGKJZ-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.28
Rot. Bonds3

About [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate

[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate (PubChem CID 121372601) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate
PubChem CID121372601
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name[4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(-c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H15FO2/c1-11(2)17(19)20-15-8-6-13(7-9-15)14-5-4-12(3)16(18)10-14/h4-10H,1H2,2-3H3
InChIKeyFCNISMAKAUGKJZ-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
[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
[4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 139541987
[2-fluoro-4-[4-(3-methylbuta-1,3-dien-2-yloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 145261223
[2-fluoro-4-(4-methylphenyl)phenyl] 2-methylprop-2-enoate
CID 118147418
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 3-methylbut-3-enoate
CID 145418981
[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130145
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2,2-dimethylpropanoate
CID 123859722
[4-[2,5-dimethyl-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 135130109
[4-[3-fluoro-4-[2-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 168727534
[4-[4-(1,2-dihydroxy-2-methylpropyl)-3-fluorophenyl]phenyl] 2-methylprop-2-enoate
CID 129089830
2-[4-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 169027213

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate (CID 121372601) is [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(-c2ccc(C)c(F)c2)cc1.
What is the InChIKey of [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate?
The InChIKey is FCNISMAKAUGKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-11(2)17(19)20-15-8-6-13(7-9-15)14-5-4-12(3)16(18)10-14/h4-10H,1H2,2-3H3.
What are the key properties of [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate?
[4-(3-fluoro-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 [4-(3-fluoro-4-methylphenyl)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 121372601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).