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

C23H19FO2 — CID 153297127

IUPAC[3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C23H19FO2/c1-16-3-7-18(8-4-16)9-14-23(25)26-20-12-13-21(22(24)15-20)19-10-5-17(2)6-11-19/h3-15H,1-2H3/b14-9+
InChIKeyKJNFUQDKIWECIQ-NTEUORMPSA-N
MW346.40 g/mol
LogP5.73
Rot. Bonds4

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

[3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate (PubChem CID 153297127) has the molecular formula C23H19FO2 and a molecular weight of 346.40 g/mol. Its IUPAC name is [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name[3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate
PubChem CID153297127
Molecular FormulaC23H19FO2
Molecular Weight346.40 g/mol
Exact Mass346.14
IUPAC Name[3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)c(F)c2)cc1
InChIInChI=1S/C23H19FO2/c1-16-3-7-18(8-4-16)9-14-23(25)26-20-12-13-21(22(24)15-20)19-10-5-17(2)6-11-19/h3-15H,1-2H3/b14-9+
InChIKeyKJNFUQDKIWECIQ-NTEUORMPSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.40
LogP ≤ 55.73
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-cyano-3-fluorophenyl) 3-(4-methylphenyl)prop-2-enoate
CID 59264016
ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
CID 142377095
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
(2,3,4,5,6-pentafluorophenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 87281040
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
CID 158344042
(4-chloro-3-methylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 917955
(4-chloro-3-methylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917954
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
(2,4-dimethylphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6128285

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate (CID 153297127) is [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)c(F)c2)cc1.
What is the InChIKey of [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is KJNFUQDKIWECIQ-NTEUORMPSA-N. The full InChI is InChI=1S/C23H19FO2/c1-16-3-7-18(8-4-16)9-14-23(25)26-20-12-13-21(22(24)15-20)19-10-5-17(2)6-11-19/h3-15H,1-2H3/b14-9+.
What are the key properties of [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate?
[3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 346.40 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 153297127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).