4-bromo-5-methoxy-9H-fluorene

C14H11BrO — CID 151444335

IUPAC4-bromo-5-methoxy-9H-fluorene
SMILESCOc1cccc2c1-c1c(Br)cccc1C2
InChIInChI=1S/C14H11BrO/c1-16-12-7-3-5-10-8-9-4-2-6-11(15)13(9)14(10)12/h2-7H,8H2,1H3
InChIKeyPFEGKHLFVWQQHG-UHFFFAOYSA-N
MW275.15 g/mol
LogP4.03
Rot. Bonds1

About 4-bromo-5-methoxy-9H-fluorene

4-bromo-5-methoxy-9H-fluorene (PubChem CID 151444335) has the molecular formula C14H11BrO and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-5-methoxy-9H-fluorene.

Molecular Properties

Compound Name4-bromo-5-methoxy-9H-fluorene
PubChem CID151444335
Molecular FormulaC14H11BrO
Molecular Weight275.15 g/mol
Exact Mass274.00
IUPAC Name4-bromo-5-methoxy-9H-fluorene
SMILESCOc1cccc2c1-c1c(Br)cccc1C2
InChIInChI=1S/C14H11BrO/c1-16-12-7-3-5-10-8-9-4-2-6-11(15)13(9)14(10)12/h2-7H,8H2,1H3
InChIKeyPFEGKHLFVWQQHG-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methoxy-9H-fluorene?
The IUPAC name of 4-bromo-5-methoxy-9H-fluorene (CID 151444335) is 4-bromo-5-methoxy-9H-fluorene.
What is the SMILES notation for 4-bromo-5-methoxy-9H-fluorene?
The canonical SMILES for 4-bromo-5-methoxy-9H-fluorene is COc1cccc2c1-c1c(Br)cccc1C2.
What is the InChIKey of 4-bromo-5-methoxy-9H-fluorene?
The InChIKey is PFEGKHLFVWQQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c1-16-12-7-3-5-10-8-9-4-2-6-11(15)13(9)14(10)12/h2-7H,8H2,1H3.
What are the key properties of 4-bromo-5-methoxy-9H-fluorene?
4-bromo-5-methoxy-9H-fluorene has a molecular weight of 275.15 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methoxy-9H-fluorene is sourced from PubChem (CID 151444335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).