(E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one

C19H19FO — CID 138972401

IUPAC(E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one
SMILESCC(C)C/C=C(/C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FO/c1-14(2)8-13-18(15-9-11-17(20)12-10-15)19(21)16-6-4-3-5-7-16/h3-7,9-14H,8H2,1-2H3/b18-13+
InChIKeyJHNGQHXCRLJFIB-QGOAFFKASA-N
MW282.36 g/mol
LogP5.14
Rot. Bonds5

About (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one

(E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one (PubChem CID 138972401) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one.

Molecular Properties

Compound Name(E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one
PubChem CID138972401
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name(E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one
SMILESCC(C)C/C=C(/C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H19FO/c1-14(2)8-13-18(15-9-11-17(20)12-10-15)19(21)16-6-4-3-5-7-16/h3-7,9-14H,8H2,1-2H3/b18-13+
InChIKeyJHNGQHXCRLJFIB-QGOAFFKASA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one?
The IUPAC name of (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one (CID 138972401) is (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one.
What is the SMILES notation for (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one?
The canonical SMILES for (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one is CC(C)C/C=C(/C(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one?
The InChIKey is JHNGQHXCRLJFIB-QGOAFFKASA-N. The full InChI is InChI=1S/C19H19FO/c1-14(2)8-13-18(15-9-11-17(20)12-10-15)19(21)16-6-4-3-5-7-16/h3-7,9-14H,8H2,1-2H3/b18-13+.
What are the key properties of (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one?
(E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one has a molecular weight of 282.36 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-fluorophenyl)-5-methyl-1-phenylhex-2-en-1-one is sourced from PubChem (CID 138972401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).