8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene

C11H12BrClO — CID 171787900

IUPAC8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C11H12BrClO/c1-11(2)4-3-7-5-8(13)6-9(12)10(7)14-11/h5-6H,3-4H2,1-2H3
InChIKeyJCACCUPMTWOYJM-UHFFFAOYSA-N
MW275.57 g/mol
LogP4.21
Rot. Bonds

About 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene

8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 171787900) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
PubChem CID171787900
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
SMILESCC1(C)CCc2cc(Cl)cc(Br)c2O1
InChIInChI=1S/C11H12BrClO/c1-11(2)4-3-7-5-8(13)6-9(12)10(7)14-11/h5-6H,3-4H2,1-2H3
InChIKeyJCACCUPMTWOYJM-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 15052932
8-bromo-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 23238946
8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046027
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
7-bromo-5-chloro-2-methyl-3H-1-benzofuran-2-carboxylic acid
CID 162469817
6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene
CID 45255786
8-bromo-6-chloro-2,2-dimethyl-3H-chromen-4-one
CID 64698086
2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-1H-imidazo[4,5-b]pyrazine
CID 20540604
2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-8-yl)-5,6-dimethyl-1H-benzimidazole
CID 13051681
7-(2-bromoethyl)-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 175293076
1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone
CID 12529749
6-chloro-2,2-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,4-dihydrochromene-8-carboxamide
CID 19418964

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene (CID 171787900) is 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene is CC1(C)CCc2cc(Cl)cc(Br)c2O1.
What is the InChIKey of 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is JCACCUPMTWOYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-11(2)4-3-7-5-8(13)6-9(12)10(7)14-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene?
8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 275.57 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 171787900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).