(E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

C23H15F3O2 — CID 155566047

IUPAC(E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F3O2/c24-23(25,26)18-9-6-17(7-10-18)21(27)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)28-14-15/h1-13H,14H2/b11-5+
InChIKeyIWVVHIQSOJIPIT-VZUCSPMQSA-N
MW380.37 g/mol
LogP6.07
Rot. Bonds3

About (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one

(E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one (PubChem CID 155566047) has the molecular formula C23H15F3O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
PubChem CID155566047
Molecular FormulaC23H15F3O2
Molecular Weight380.37 g/mol
Exact Mass380.10
IUPAC Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15F3O2/c24-23(25,26)18-9-6-17(7-10-18)21(27)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)28-14-15/h1-13H,14H2/b11-5+
InChIKeyIWVVHIQSOJIPIT-VZUCSPMQSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The IUPAC name of (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one (CID 155566047) is (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is O=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
The InChIKey is IWVVHIQSOJIPIT-VZUCSPMQSA-N. The full InChI is InChI=1S/C23H15F3O2/c24-23(25,26)18-9-6-17(7-10-18)21(27)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)28-14-15/h1-13H,14H2/b11-5+.
What are the key properties of (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one?
(E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one has a molecular weight of 380.37 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3H-benzo[f]chromen-2-yl)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one is sourced from PubChem (CID 155566047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).