1-bromo-9,10-dihydrophenanthrene

C14H11Br — CID 147917753

IUPAC1-bromo-9,10-dihydrophenanthrene
SMILESBrc1cccc2c1CCc1ccccc1-2
InChIInChI=1S/C14H11Br/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-7H,8-9H2
InChIKeyIHJZUEXGGVXRNH-UHFFFAOYSA-N
MW259.15 g/mol
LogP4.21
Rot. Bonds

About 1-bromo-9,10-dihydrophenanthrene

1-bromo-9,10-dihydrophenanthrene (PubChem CID 147917753) has the molecular formula C14H11Br and a molecular weight of 259.15 g/mol. Its IUPAC name is 1-bromo-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name1-bromo-9,10-dihydrophenanthrene
PubChem CID147917753
Molecular FormulaC14H11Br
Molecular Weight259.15 g/mol
Exact Mass258.00
IUPAC Name1-bromo-9,10-dihydrophenanthrene
SMILESBrc1cccc2c1CCc1ccccc1-2
InChIInChI=1S/C14H11Br/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-7H,8-9H2
InChIKeyIHJZUEXGGVXRNH-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-9,10-dihydrophenanthrene?
The IUPAC name of 1-bromo-9,10-dihydrophenanthrene (CID 147917753) is 1-bromo-9,10-dihydrophenanthrene.
What is the SMILES notation for 1-bromo-9,10-dihydrophenanthrene?
The canonical SMILES for 1-bromo-9,10-dihydrophenanthrene is Brc1cccc2c1CCc1ccccc1-2.
What is the InChIKey of 1-bromo-9,10-dihydrophenanthrene?
The InChIKey is IHJZUEXGGVXRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-7H,8-9H2.
What are the key properties of 1-bromo-9,10-dihydrophenanthrene?
1-bromo-9,10-dihydrophenanthrene has a molecular weight of 259.15 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9,10-dihydrophenanthrene is sourced from PubChem (CID 147917753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).