(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate

C17H15FO2 — CID 142377095

IUPAC(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
SMILESCc1ccc(OC(=O)/C=C/c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H15FO2/c1-12-3-8-15(9-4-12)20-17(19)10-7-14-6-5-13(2)16(18)11-14/h3-11H,1-2H3/b10-7+
InChIKeyNAEQQTXYOUIOIB-JXMROGBWSA-N
MW270.30 g/mol
LogP4.06
Rot. Bonds3

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

(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate (PubChem CID 142377095) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
PubChem CID142377095
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
SMILESCc1ccc(OC(=O)/C=C/c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C17H15FO2/c1-12-3-8-15(9-4-12)20-17(19)10-7-14-6-5-13(2)16(18)11-14/h3-11H,1-2H3/b10-7+
InChIKeyNAEQQTXYOUIOIB-JXMROGBWSA-N
XLogP4.06
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 ≤ 54.06
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

ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
[3-fluoro-4-(4-methylphenyl)phenyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 153297127
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
(4-cyano-3-fluorophenyl) 3-(4-methylphenyl)prop-2-enoate
CID 59264016
(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) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918
(2,5-dimethylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 918141
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917641
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-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate?
The IUPAC name of (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate (CID 142377095) is (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate.
What is the SMILES notation for (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate?
The canonical SMILES for (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate is Cc1ccc(OC(=O)/C=C/c2ccc(C)c(F)c2)cc1.
What is the InChIKey of (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate?
The InChIKey is NAEQQTXYOUIOIB-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15FO2/c1-12-3-8-15(9-4-12)20-17(19)10-7-14-6-5-13(2)16(18)11-14/h3-11H,1-2H3/b10-7+.
What are the key properties of (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate?
(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate has a molecular weight of 270.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 142377095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).