2-bromo-3-methylfluoren-9-one

C14H9BrO — CID 595891

IUPAC2-bromo-3-methylfluoren-9-one
SMILESCc1cc2c(cc1Br)C(=O)c1ccccc1-2
InChIInChI=1S/C14H9BrO/c1-8-6-11-9-4-2-3-5-10(9)14(16)12(11)7-13(8)15/h2-7H,1H3
InChIKeyBMWQDQMOJJRDBU-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.97
Rot. Bonds

About 2-bromo-3-methylfluoren-9-one

2-bromo-3-methylfluoren-9-one (PubChem CID 595891) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-3-methylfluoren-9-one.

Molecular Properties

Compound Name2-bromo-3-methylfluoren-9-one
PubChem CID595891
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name2-bromo-3-methylfluoren-9-one
SMILESCc1cc2c(cc1Br)C(=O)c1ccccc1-2
InChIInChI=1S/C14H9BrO/c1-8-6-11-9-4-2-3-5-10(9)14(16)12(11)7-13(8)15/h2-7H,1H3
InChIKeyBMWQDQMOJJRDBU-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methylfluoren-9-one?
The IUPAC name of 2-bromo-3-methylfluoren-9-one (CID 595891) is 2-bromo-3-methylfluoren-9-one.
What is the SMILES notation for 2-bromo-3-methylfluoren-9-one?
The canonical SMILES for 2-bromo-3-methylfluoren-9-one is Cc1cc2c(cc1Br)C(=O)c1ccccc1-2.
What is the InChIKey of 2-bromo-3-methylfluoren-9-one?
The InChIKey is BMWQDQMOJJRDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c1-8-6-11-9-4-2-3-5-10(9)14(16)12(11)7-13(8)15/h2-7H,1H3.
What are the key properties of 2-bromo-3-methylfluoren-9-one?
2-bromo-3-methylfluoren-9-one has a molecular weight of 273.13 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methylfluoren-9-one is sourced from PubChem (CID 595891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).