3-bromo-4-ethyl-2H-chromene

C11H11BrO — CID 121216667

IUPAC3-bromo-4-ethyl-2H-chromene
SMILESCCC1=C(Br)COc2ccccc21
InChIInChI=1S/C11H11BrO/c1-2-8-9-5-3-4-6-11(9)13-7-10(8)12/h3-6H,2,7H2,1H3
InChIKeyZMOUXVAAWYVITF-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.60
Rot. Bonds1

About 3-bromo-4-ethyl-2H-chromene

3-bromo-4-ethyl-2H-chromene (PubChem CID 121216667) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 3-bromo-4-ethyl-2H-chromene.

Molecular Properties

Compound Name3-bromo-4-ethyl-2H-chromene
PubChem CID121216667
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name3-bromo-4-ethyl-2H-chromene
SMILESCCC1=C(Br)COc2ccccc21
InChIInChI=1S/C11H11BrO/c1-2-8-9-5-3-4-6-11(9)13-7-10(8)12/h3-6H,2,7H2,1H3
InChIKeyZMOUXVAAWYVITF-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyl-2H-chromene?
The IUPAC name of 3-bromo-4-ethyl-2H-chromene (CID 121216667) is 3-bromo-4-ethyl-2H-chromene.
What is the SMILES notation for 3-bromo-4-ethyl-2H-chromene?
The canonical SMILES for 3-bromo-4-ethyl-2H-chromene is CCC1=C(Br)COc2ccccc21.
What is the InChIKey of 3-bromo-4-ethyl-2H-chromene?
The InChIKey is ZMOUXVAAWYVITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c1-2-8-9-5-3-4-6-11(9)13-7-10(8)12/h3-6H,2,7H2,1H3.
What are the key properties of 3-bromo-4-ethyl-2H-chromene?
3-bromo-4-ethyl-2H-chromene has a molecular weight of 239.11 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethyl-2H-chromene is sourced from PubChem (CID 121216667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).