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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Related Compounds

9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;ethane
CID 143759681
3-[(7-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)amino]-N,N-diethylpropan-1-amine
CID 21483802
4-bromo-3-methyl-1,2-dihydronaphthalene
CID 12009186
4-bromo-2,3-dihydroinden-1-one;methanamine
CID 174616015
1-bromo-9H-fluorene;1-chloro-4-iodobenzene
CID 118435995
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
3,4,5,6-tetrahydro-2H-chrysen-1-one
CID 14148821
19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
CID 165351241
6,12-dibromo-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59110178
(E)-4-bromo-N-methoxy-2,3-dihydroinden-1-imine
CID 58102833

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).