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

C22H14Cl2O2 — CID 155563791

IUPAC(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl2O2/c23-16-7-8-18(20(24)12-16)21(25)9-5-14-11-19-17-4-2-1-3-15(17)6-10-22(19)26-13-14/h1-12H,13H2/b9-5+
InChIKeyFGMCMIYBJDDPQC-WEVVVXLNSA-N
MW381.26 g/mol
LogP6.36
Rot. Bonds3

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

(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one (PubChem CID 155563791) has the molecular formula C22H14Cl2O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
PubChem CID155563791
Molecular FormulaC22H14Cl2O2
Molecular Weight381.26 g/mol
Exact Mass380.04
IUPAC Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl2O2/c23-16-7-8-18(20(24)12-16)21(25)9-5-14-11-19-17-4-2-1-3-15(17)6-10-22(19)26-13-14/h1-12H,13H2/b9-5+
InChIKeyFGMCMIYBJDDPQC-WEVVVXLNSA-N
XLogP6.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 56.36
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-(2,4-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one (CID 155563791) is (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one is O=C(/C=C/C1=Cc2c(ccc3ccccc23)OC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one?
The InChIKey is FGMCMIYBJDDPQC-WEVVVXLNSA-N. The full InChI is InChI=1S/C22H14Cl2O2/c23-16-7-8-18(20(24)12-16)21(25)9-5-14-11-19-17-4-2-1-3-15(17)6-10-22(19)26-13-14/h1-12H,13H2/b9-5+.
What are the key properties of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one?
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one has a molecular weight of 381.26 g/mol, XLogP of 6.36, 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-(2,4-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 155563791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).