2-bromo-9-methyl-9H-xanthene

C14H11BrO — CID 102170918

IUPAC2-bromo-9-methyl-9H-xanthene
SMILESCC1c2ccccc2Oc2ccc(Br)cc21
InChIInChI=1S/C14H11BrO/c1-9-11-4-2-3-5-13(11)16-14-7-6-10(15)8-12(9)14/h2-9H,1H3
InChIKeyCDMIYQZYNBEOQH-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.71
Rot. Bonds

About 2-bromo-9-methyl-9H-xanthene

2-bromo-9-methyl-9H-xanthene (PubChem CID 102170918) has the molecular formula C14H11BrO and a molecular weight of 275.14 g/mol. Its IUPAC name is 2-bromo-9-methyl-9H-xanthene.

Molecular Properties

Compound Name2-bromo-9-methyl-9H-xanthene
PubChem CID102170918
Molecular FormulaC14H11BrO
Molecular Weight275.14 g/mol
Exact Mass274.00
IUPAC Name2-bromo-9-methyl-9H-xanthene
SMILESCC1c2ccccc2Oc2ccc(Br)cc21
InChIInChI=1S/C14H11BrO/c1-9-11-4-2-3-5-13(11)16-14-7-6-10(15)8-12(9)14/h2-9H,1H3
InChIKeyCDMIYQZYNBEOQH-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-methyl-9H-xanthene?
The IUPAC name of 2-bromo-9-methyl-9H-xanthene (CID 102170918) is 2-bromo-9-methyl-9H-xanthene.
What is the SMILES notation for 2-bromo-9-methyl-9H-xanthene?
The canonical SMILES for 2-bromo-9-methyl-9H-xanthene is CC1c2ccccc2Oc2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-methyl-9H-xanthene?
The InChIKey is CDMIYQZYNBEOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c1-9-11-4-2-3-5-13(11)16-14-7-6-10(15)8-12(9)14/h2-9H,1H3.
What are the key properties of 2-bromo-9-methyl-9H-xanthene?
2-bromo-9-methyl-9H-xanthene has a molecular weight of 275.14 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-methyl-9H-xanthene is sourced from PubChem (CID 102170918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).