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

C13H17BrO — CID 45255786

IUPAC6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene
SMILESCCc1cc(Br)cc2c1OC(C)(C)CC2
InChIInChI=1S/C13H17BrO/c1-4-9-7-11(14)8-10-5-6-13(2,3)15-12(9)10/h7-8H,4-6H2,1-3H3
InChIKeyHWSJGDUMOFWZKX-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.12
Rot. Bonds1

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

6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene (PubChem CID 45255786) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene.

Molecular Properties

Compound Name6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene
PubChem CID45255786
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene
SMILESCCc1cc(Br)cc2c1OC(C)(C)CC2
InChIInChI=1S/C13H17BrO/c1-4-9-7-11(14)8-10-5-6-13(2,3)15-12(9)10/h7-8H,4-6H2,1-3H3
InChIKeyHWSJGDUMOFWZKX-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene?
The IUPAC name of 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene (CID 45255786) is 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene.
What is the SMILES notation for 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene?
The canonical SMILES for 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene is CCc1cc(Br)cc2c1OC(C)(C)CC2.
What is the InChIKey of 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene?
The InChIKey is HWSJGDUMOFWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-4-9-7-11(14)8-10-5-6-13(2,3)15-12(9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene?
6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene has a molecular weight of 269.18 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2,2-dimethyl-3,4-dihydrochromene is sourced from PubChem (CID 45255786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).