2-bromo-9-methyl-9-phenylxanthene

C20H15BrO — CID 90153679

IUPAC2-bromo-9-methyl-9-phenylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(Br)cc21
InChIInChI=1S/C20H15BrO/c1-20(14-7-3-2-4-8-14)16-9-5-6-10-18(16)22-19-12-11-15(21)13-17(19)20/h2-13H,1H3
InChIKeyQXDBOFWACWJINJ-UHFFFAOYSA-N
MW351.24 g/mol
LogP5.91
Rot. Bonds1

About 2-bromo-9-methyl-9-phenylxanthene

2-bromo-9-methyl-9-phenylxanthene (PubChem CID 90153679) has the molecular formula C20H15BrO and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-bromo-9-methyl-9-phenylxanthene.

Molecular Properties

Compound Name2-bromo-9-methyl-9-phenylxanthene
PubChem CID90153679
Molecular FormulaC20H15BrO
Molecular Weight351.24 g/mol
Exact Mass350.03
IUPAC Name2-bromo-9-methyl-9-phenylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(Br)cc21
InChIInChI=1S/C20H15BrO/c1-20(14-7-3-2-4-8-14)16-9-5-6-10-18(16)22-19-12-11-15(21)13-17(19)20/h2-13H,1H3
InChIKeyQXDBOFWACWJINJ-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.24
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-Bromochroman
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6-bromo-2-phenyl-2H-chromene
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9-Benzylidenexanthene
CID 623062
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CID 3067123
Benzene, 1-(4-bromophenoxy)-3-((2-(4-methylphenyl)-2-methylpropoxy)methyl)-
CID 3067140
Benzene, 1-(4-bromophenoxy)-3-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-
CID 3067170
6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran
CID 15840550
6-bromo-3-(4-bromophenyl)-2H-chromene
CID 3009216

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-methyl-9-phenylxanthene?
The IUPAC name of 2-bromo-9-methyl-9-phenylxanthene (CID 90153679) is 2-bromo-9-methyl-9-phenylxanthene.
What is the SMILES notation for 2-bromo-9-methyl-9-phenylxanthene?
The canonical SMILES for 2-bromo-9-methyl-9-phenylxanthene is CC1(c2ccccc2)c2ccccc2Oc2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-methyl-9-phenylxanthene?
The InChIKey is QXDBOFWACWJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO/c1-20(14-7-3-2-4-8-14)16-9-5-6-10-18(16)22-19-12-11-15(21)13-17(19)20/h2-13H,1H3.
What are the key properties of 2-bromo-9-methyl-9-phenylxanthene?
2-bromo-9-methyl-9-phenylxanthene has a molecular weight of 351.24 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-methyl-9-phenylxanthene is sourced from PubChem (CID 90153679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).