2-[2-(4-bromophenyl)ethenyl]chromen-4-one

C17H11BrO2 — CID 77393330

IUPAC2-[2-(4-bromophenyl)ethenyl]chromen-4-one
SMILESO=c1cc(C=Cc2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C17H11BrO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H
InChIKeyKMSDPHZZJQEQTQ-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.73
Rot. Bonds2

About 2-[2-(4-bromophenyl)ethenyl]chromen-4-one

2-[2-(4-bromophenyl)ethenyl]chromen-4-one (PubChem CID 77393330) has the molecular formula C17H11BrO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethenyl]chromen-4-one.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethenyl]chromen-4-one
PubChem CID77393330
Molecular FormulaC17H11BrO2
Molecular Weight327.18 g/mol
Exact Mass325.99
IUPAC Name2-[2-(4-bromophenyl)ethenyl]chromen-4-one
SMILESO=c1cc(C=Cc2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C17H11BrO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H
InChIKeyKMSDPHZZJQEQTQ-UHFFFAOYSA-N
XLogP4.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethenyl]chromen-4-one?
The IUPAC name of 2-[2-(4-bromophenyl)ethenyl]chromen-4-one (CID 77393330) is 2-[2-(4-bromophenyl)ethenyl]chromen-4-one.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethenyl]chromen-4-one?
The canonical SMILES for 2-[2-(4-bromophenyl)ethenyl]chromen-4-one is O=c1cc(C=Cc2ccc(Br)cc2)oc2ccccc12.
What is the InChIKey of 2-[2-(4-bromophenyl)ethenyl]chromen-4-one?
The InChIKey is KMSDPHZZJQEQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO2/c18-13-8-5-12(6-9-13)7-10-14-11-16(19)15-3-1-2-4-17(15)20-14/h1-11H.
What are the key properties of 2-[2-(4-bromophenyl)ethenyl]chromen-4-one?
2-[2-(4-bromophenyl)ethenyl]chromen-4-one has a molecular weight of 327.18 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethenyl]chromen-4-one is sourced from PubChem (CID 77393330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).