8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one

C12H12BrClO2 — CID 66560309

IUPAC8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one
SMILESCCCC1CC(=O)c2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C12H12BrClO2/c1-2-3-8-6-11(15)9-4-7(14)5-10(13)12(9)16-8/h4-5,8H,2-3,6H2,1H3
InChIKeyPLMKQLJYZZAIHG-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.24
Rot. Bonds2

About 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one

8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one (PubChem CID 66560309) has the molecular formula C12H12BrClO2 and a molecular weight of 303.58 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one
PubChem CID66560309
Molecular FormulaC12H12BrClO2
Molecular Weight303.58 g/mol
Exact Mass301.97
IUPAC Name8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one
SMILESCCCC1CC(=O)c2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C12H12BrClO2/c1-2-3-8-6-11(15)9-4-7(14)5-10(13)12(9)16-8/h4-5,8H,2-3,6H2,1H3
InChIKeyPLMKQLJYZZAIHG-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one?
The IUPAC name of 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one (CID 66560309) is 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one is CCCC1CC(=O)c2cc(Cl)cc(Br)c2O1.
What is the InChIKey of 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one?
The InChIKey is PLMKQLJYZZAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClO2/c1-2-3-8-6-11(15)9-4-7(14)5-10(13)12(9)16-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one?
8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one has a molecular weight of 303.58 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-propyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 66560309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).