2-bromo-6-chloro-9,9-dimethylxanthene

C15H12BrClO — CID 163217021

IUPAC2-bromo-6-chloro-9,9-dimethylxanthene
SMILESCC1(C)c2ccc(Cl)cc2Oc2ccc(Br)cc21
InChIInChI=1S/C15H12BrClO/c1-15(2)11-5-4-10(17)8-14(11)18-13-6-3-9(16)7-12(13)15/h3-8H,1-2H3
InChIKeyVAEOOYWAVCLBOG-UHFFFAOYSA-N
MW323.62 g/mol
LogP5.53
Rot. Bonds

About 2-bromo-6-chloro-9,9-dimethylxanthene

2-bromo-6-chloro-9,9-dimethylxanthene (PubChem CID 163217021) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-bromo-6-chloro-9,9-dimethylxanthene.

Molecular Properties

Compound Name2-bromo-6-chloro-9,9-dimethylxanthene
PubChem CID163217021
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name2-bromo-6-chloro-9,9-dimethylxanthene
SMILESCC1(C)c2ccc(Cl)cc2Oc2ccc(Br)cc21
InChIInChI=1S/C15H12BrClO/c1-15(2)11-5-4-10(17)8-14(11)18-13-6-3-9(16)7-12(13)15/h3-8H,1-2H3
InChIKeyVAEOOYWAVCLBOG-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.62
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-9,9-dimethylxanthene?
The IUPAC name of 2-bromo-6-chloro-9,9-dimethylxanthene (CID 163217021) is 2-bromo-6-chloro-9,9-dimethylxanthene.
What is the SMILES notation for 2-bromo-6-chloro-9,9-dimethylxanthene?
The canonical SMILES for 2-bromo-6-chloro-9,9-dimethylxanthene is CC1(C)c2ccc(Cl)cc2Oc2ccc(Br)cc21.
What is the InChIKey of 2-bromo-6-chloro-9,9-dimethylxanthene?
The InChIKey is VAEOOYWAVCLBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-15(2)11-5-4-10(17)8-14(11)18-13-6-3-9(16)7-12(13)15/h3-8H,1-2H3.
What are the key properties of 2-bromo-6-chloro-9,9-dimethylxanthene?
2-bromo-6-chloro-9,9-dimethylxanthene has a molecular weight of 323.62 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-9,9-dimethylxanthene is sourced from PubChem (CID 163217021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).