5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene

C12H15BrO2 — CID 171049136

IUPAC5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene
SMILESCOc1ccc(Br)c2c1OC(C)(C)CC2
InChIInChI=1S/C12H15BrO2/c1-12(2)7-6-8-9(13)4-5-10(14-3)11(8)15-12/h4-5H,6-7H2,1-3H3
InChIKeyNJCFYVYSJILIRZ-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.56
Rot. Bonds1

About 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene

5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 171049136) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene
PubChem CID171049136
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene
SMILESCOc1ccc(Br)c2c1OC(C)(C)CC2
InChIInChI=1S/C12H15BrO2/c1-12(2)7-6-8-9(13)4-5-10(14-3)11(8)15-12/h4-5H,6-7H2,1-3H3
InChIKeyNJCFYVYSJILIRZ-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)selenophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
CID 172625549
7-methoxy-8-[5-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)thiophen-2-yl]-2,2-dimethyl-3,4-dihydrochromene
CID 172625550
7-methoxy-2,2-dimethyl-3H-1-benzofuran-4-carboxylic acid
CID 23296063
4-bromo-2,2-dimethyl-3H-1-benzofuran-7-ol
CID 67968906
5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
CID 163067078
8-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
CID 163059713
anisole;ethane;methane;6-methoxy-2,2,5,7,8-pentamethyl-3,4-dihydrochromene
CID 159203763
6,9-dibromo-7-methoxy-2,2-dimethyl-4,5-dihydro-3H-1,5-benzoxazepine
CID 113422628
8-bromo-5-methoxy-2'-methylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 91102364
8-bromo-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 23238946
8-bromo-6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 171787900
5-bromo-8-methoxyspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 70229608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene (CID 171049136) is 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene is COc1ccc(Br)c2c1OC(C)(C)CC2.
What is the InChIKey of 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is NJCFYVYSJILIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-12(2)7-6-8-9(13)4-5-10(14-3)11(8)15-12/h4-5H,6-7H2,1-3H3.
What are the key properties of 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene?
5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 271.15 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 171049136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).