(E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one

C19H15BrO3 — CID 73345930

IUPAC(E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C(=O)/C=C/C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C19H15BrO3/c1-22-19-5-3-2-4-16(19)17(21)8-6-13-10-14-11-15(20)7-9-18(14)23-12-13/h2-11H,12H2,1H3/b8-6+
InChIKeyKRRKSEHAFXROIJ-SOFGYWHQSA-N
MW371.23 g/mol
LogP4.67
Rot. Bonds4

About (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one

(E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one (PubChem CID 73345930) has the molecular formula C19H15BrO3 and a molecular weight of 371.23 g/mol. Its IUPAC name is (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
PubChem CID73345930
Molecular FormulaC19H15BrO3
Molecular Weight371.23 g/mol
Exact Mass370.02
IUPAC Name(E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccccc1C(=O)/C=C/C1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C19H15BrO3/c1-22-19-5-3-2-4-16(19)17(21)8-6-13-10-14-11-15(20)7-9-18(14)23-12-13/h2-11H,12H2,1H3/b8-6+
InChIKeyKRRKSEHAFXROIJ-SOFGYWHQSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one (CID 73345930) is (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one is COc1ccccc1C(=O)/C=C/C1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
The InChIKey is KRRKSEHAFXROIJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H15BrO3/c1-22-19-5-3-2-4-16(19)17(21)8-6-13-10-14-11-15(20)7-9-18(14)23-12-13/h2-11H,12H2,1H3/b8-6+.
What are the key properties of (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one?
(E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one has a molecular weight of 371.23 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-bromo-2H-chromen-3-yl)-1-(2-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 73345930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).