(E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one

C18H13ClO2 — CID 155550679

IUPAC(E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2ccccc2OC1)c1ccccc1Cl
InChIInChI=1S/C18H13ClO2/c19-16-7-3-2-6-15(16)17(20)10-9-13-11-14-5-1-4-8-18(14)21-12-13/h1-11H,12H2/b10-9+
InChIKeySLELLRBKNFJYQT-MDZDMXLPSA-N
MW296.75 g/mol
LogP4.55
Rot. Bonds3

About (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one

(E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one (PubChem CID 155550679) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one
PubChem CID155550679
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name(E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one
SMILESO=C(/C=C/C1=Cc2ccccc2OC1)c1ccccc1Cl
InChIInChI=1S/C18H13ClO2/c19-16-7-3-2-6-15(16)17(20)10-9-13-11-14-5-1-4-8-18(14)21-12-13/h1-11H,12H2/b10-9+
InChIKeySLELLRBKNFJYQT-MDZDMXLPSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.55
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)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one (CID 155550679) is (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one is O=C(/C=C/C1=Cc2ccccc2OC1)c1ccccc1Cl.
What is the InChIKey of (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one?
The InChIKey is SLELLRBKNFJYQT-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H13ClO2/c19-16-7-3-2-6-15(16)17(20)10-9-13-11-14-5-1-4-8-18(14)21-12-13/h1-11H,12H2/b10-9+.
What are the key properties of (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one?
(E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one has a molecular weight of 296.75 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-en-1-one is sourced from PubChem (CID 155550679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).