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

C22H15FO2 — CID 155568632

IUPAC(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccccc1F
InChIInChI=1S/C22H15FO2/c23-20-8-4-3-7-18(20)21(24)11-9-15-13-19-17-6-2-1-5-16(17)10-12-22(19)25-14-15/h1-13H,14H2/b11-9+
InChIKeyFNICYHPQEDPWCH-PKNBQFBNSA-N
MW330.36 g/mol
LogP5.19
Rot. Bonds3

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

(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one (PubChem CID 155568632) has the molecular formula C22H15FO2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one
PubChem CID155568632
Molecular FormulaC22H15FO2
Molecular Weight330.36 g/mol
Exact Mass330.11
IUPAC Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccccc1F
InChIInChI=1S/C22H15FO2/c23-20-8-4-3-7-18(20)21(24)11-9-15-13-19-17-6-2-1-5-16(17)10-12-22(19)25-14-15/h1-13H,14H2/b11-9+
InChIKeyFNICYHPQEDPWCH-PKNBQFBNSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.19
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-(2-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one (CID 155568632) is (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one is O=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccccc1F.
What is the InChIKey of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one?
The InChIKey is FNICYHPQEDPWCH-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H15FO2/c23-20-8-4-3-7-18(20)21(24)11-9-15-13-19-17-6-2-1-5-16(17)10-12-22(19)25-14-15/h1-13H,14H2/b11-9+.
What are the key properties of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one?
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2-fluorophenyl)prop-2-en-1-one has a molecular weight of 330.36 g/mol, XLogP of 5.19, 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-(2-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 155568632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).