6-bromo-1,4-dihydronaphthalene

C10H9Br — CID 170045023

IUPAC6-bromo-1,4-dihydronaphthalene
SMILESBrc1ccc2c(c1)CC=CC2
InChIInChI=1S/C10H9Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,5-7H,3-4H2
InChIKeyZOMQGEUFKIKXJB-UHFFFAOYSA-N
MW209.09 g/mol
LogP3.10
Rot. Bonds

About 6-bromo-1,4-dihydronaphthalene

6-bromo-1,4-dihydronaphthalene (PubChem CID 170045023) has the molecular formula C10H9Br and a molecular weight of 209.09 g/mol. Its IUPAC name is 6-bromo-1,4-dihydronaphthalene.

Molecular Properties

Compound Name6-bromo-1,4-dihydronaphthalene
PubChem CID170045023
Molecular FormulaC10H9Br
Molecular Weight209.09 g/mol
Exact Mass207.99
IUPAC Name6-bromo-1,4-dihydronaphthalene
SMILESBrc1ccc2c(c1)CC=CC2
InChIInChI=1S/C10H9Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,5-7H,3-4H2
InChIKeyZOMQGEUFKIKXJB-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.09
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1H-indene
CID 2747571
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
2,7-dibromo-10,10-dimethyl-9H-anthracene
CID 141458589
7-bromo-3,4-dihydro-1H-isochromene
CID 10560525
2-bromo-7-methyl-9H-fluorene
CID 21041918
5-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 122530552
2,7-dibromo-10-methylidene-9H-phenanthrene
CID 143802793
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,4-dihydronaphthalene?
The IUPAC name of 6-bromo-1,4-dihydronaphthalene (CID 170045023) is 6-bromo-1,4-dihydronaphthalene.
What is the SMILES notation for 6-bromo-1,4-dihydronaphthalene?
The canonical SMILES for 6-bromo-1,4-dihydronaphthalene is Brc1ccc2c(c1)CC=CC2.
What is the InChIKey of 6-bromo-1,4-dihydronaphthalene?
The InChIKey is ZOMQGEUFKIKXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-2,5-7H,3-4H2.
What are the key properties of 6-bromo-1,4-dihydronaphthalene?
6-bromo-1,4-dihydronaphthalene has a molecular weight of 209.09 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,4-dihydronaphthalene is sourced from PubChem (CID 170045023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).