2-bromo-9,9-bis(methoxymethyl)fluorene

C17H17BrO2 — CID 86065529

IUPAC2-bromo-9,9-bis(methoxymethyl)fluorene
SMILESCOCC1(COC)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H17BrO2/c1-19-10-17(11-20-2)15-6-4-3-5-13(15)14-8-7-12(18)9-16(14)17/h3-9H,10-11H2,1-2H3
InChIKeyBWAZBPYADWVIOV-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.01
Rot. Bonds4

About 2-bromo-9,9-bis(methoxymethyl)fluorene

2-bromo-9,9-bis(methoxymethyl)fluorene (PubChem CID 86065529) has the molecular formula C17H17BrO2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-bromo-9,9-bis(methoxymethyl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-bis(methoxymethyl)fluorene
PubChem CID86065529
Molecular FormulaC17H17BrO2
Molecular Weight333.23 g/mol
Exact Mass332.04
IUPAC Name2-bromo-9,9-bis(methoxymethyl)fluorene
SMILESCOCC1(COC)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H17BrO2/c1-19-10-17(11-20-2)15-6-4-3-5-13(15)14-8-7-12(18)9-16(14)17/h3-9H,10-11H2,1-2H3
InChIKeyBWAZBPYADWVIOV-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-bis(methoxymethyl)fluorene?
The IUPAC name of 2-bromo-9,9-bis(methoxymethyl)fluorene (CID 86065529) is 2-bromo-9,9-bis(methoxymethyl)fluorene.
What is the SMILES notation for 2-bromo-9,9-bis(methoxymethyl)fluorene?
The canonical SMILES for 2-bromo-9,9-bis(methoxymethyl)fluorene is COCC1(COC)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9,9-bis(methoxymethyl)fluorene?
The InChIKey is BWAZBPYADWVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2/c1-19-10-17(11-20-2)15-6-4-3-5-13(15)14-8-7-12(18)9-16(14)17/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-bromo-9,9-bis(methoxymethyl)fluorene?
2-bromo-9,9-bis(methoxymethyl)fluorene has a molecular weight of 333.23 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-bis(methoxymethyl)fluorene is sourced from PubChem (CID 86065529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).