9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene

C17H21Br — CID 53497304

IUPAC9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene
SMILESCc1ccc(C2=C(Br)C3CCCCCCC23)cc1
InChIInChI=1S/C17H21Br/c1-12-8-10-13(11-9-12)16-14-6-4-2-3-5-7-15(14)17(16)18/h8-11,14-15H,2-7H2,1H3
InChIKeyHBZPNAIHXCUAOQ-UHFFFAOYSA-N
MW305.26 g/mol
LogP5.70
Rot. Bonds1

About 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene

9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene (PubChem CID 53497304) has the molecular formula C17H21Br and a molecular weight of 305.26 g/mol. Its IUPAC name is 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene.

Molecular Properties

Compound Name9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene
PubChem CID53497304
Molecular FormulaC17H21Br
Molecular Weight305.26 g/mol
Exact Mass304.08
IUPAC Name9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene
SMILESCc1ccc(C2=C(Br)C3CCCCCCC23)cc1
InChIInChI=1S/C17H21Br/c1-12-8-10-13(11-9-12)16-14-6-4-2-3-5-7-15(14)17(16)18/h8-11,14-15H,2-7H2,1H3
InChIKeyHBZPNAIHXCUAOQ-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.26
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
cyclohexyl-(4-methylphenyl)phosphane
CID 21096698
(3aR,6aS)-2-bromo-3-(4-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-pentalen-1-one
CID 59446081
2-bromo-3-[4-(dimethylamino)phenyl]-4,5,6,6a-tetrahydro-3aH-pentalen-1-one
CID 25205282
1-(1-deuteriocyclohexyl)-4-methylbenzene
CID 140825549
3-(4-methylphenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 90444099
1-bromo-2-cyclohexyl-4-methylbenzene
CID 117104268
cis-(1R,2R)-2-(4-methylphenyl)cyclopentan-1-ol
CID 26594915
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
9-bromo-10-[2-(10-bromo-9-bicyclo[6.2.0]dec-9-enyl)ethyl]bicyclo[6.2.0]dec-9-ene
CID 101403317

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene?
The IUPAC name of 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene (CID 53497304) is 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene.
What is the SMILES notation for 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene?
The canonical SMILES for 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene is Cc1ccc(C2=C(Br)C3CCCCCCC23)cc1.
What is the InChIKey of 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene?
The InChIKey is HBZPNAIHXCUAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br/c1-12-8-10-13(11-9-12)16-14-6-4-2-3-5-7-15(14)17(16)18/h8-11,14-15H,2-7H2,1H3.
What are the key properties of 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene?
9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene has a molecular weight of 305.26 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(4-methylphenyl)bicyclo[6.2.0]dec-9-ene is sourced from PubChem (CID 53497304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).