2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one

C19H15BrO4 — CID 74927684

IUPAC2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(C=Cc3ccc(Br)cc3)oc2c1
InChIInChI=1S/C19H15BrO4/c1-22-15-10-17(23-2)19-16(21)9-14(24-18(19)11-15)8-5-12-3-6-13(20)7-4-12/h3-11H,1-2H3
InChIKeyXJIWOWQNQZRFIO-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.74
Rot. Bonds4

About 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one

2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one (PubChem CID 74927684) has the molecular formula C19H15BrO4 and a molecular weight of 387.23 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
PubChem CID74927684
Molecular FormulaC19H15BrO4
Molecular Weight387.23 g/mol
Exact Mass386.02
IUPAC Name2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(C=Cc3ccc(Br)cc3)oc2c1
InChIInChI=1S/C19H15BrO4/c1-22-15-10-17(23-2)19-16(21)9-14(24-18(19)11-15)8-5-12-3-6-13(20)7-4-12/h3-11H,1-2H3
InChIKeyXJIWOWQNQZRFIO-UHFFFAOYSA-N
XLogP4.74
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one (CID 74927684) is 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(C=Cc3ccc(Br)cc3)oc2c1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is XJIWOWQNQZRFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO4/c1-22-15-10-17(23-2)19-16(21)9-14(24-18(19)11-15)8-5-12-3-6-13(20)7-4-12/h3-11H,1-2H3.
What are the key properties of 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one?
2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 387.23 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 74927684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).