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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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).