1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene

C18H17Br — CID 145072722

IUPAC1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
SMILESCc1ccc(C2=C(c3ccc(Br)cc3)CCC2)cc1
InChIInChI=1S/C18H17Br/c1-13-5-7-14(8-6-13)17-3-2-4-18(17)15-9-11-16(19)12-10-15/h5-12H,2-4H2,1H3
InChIKeyCWUOAWSDOQCMKI-UHFFFAOYSA-N
MW313.24 g/mol
LogP5.85
Rot. Bonds2

About 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene

1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene (PubChem CID 145072722) has the molecular formula C18H17Br and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
PubChem CID145072722
Molecular FormulaC18H17Br
Molecular Weight313.24 g/mol
Exact Mass312.05
IUPAC Name1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
SMILESCc1ccc(C2=C(c3ccc(Br)cc3)CCC2)cc1
InChIInChI=1S/C18H17Br/c1-13-5-7-14(8-6-13)17-3-2-4-18(17)15-9-11-16(19)12-10-15/h5-12H,2-4H2,1H3
InChIKeyCWUOAWSDOQCMKI-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.24
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene?
The IUPAC name of 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene (CID 145072722) is 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene?
The canonical SMILES for 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene is Cc1ccc(C2=C(c3ccc(Br)cc3)CCC2)cc1.
What is the InChIKey of 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene?
The InChIKey is CWUOAWSDOQCMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Br/c1-13-5-7-14(8-6-13)17-3-2-4-18(17)15-9-11-16(19)12-10-15/h5-12H,2-4H2,1H3.
What are the key properties of 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene?
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene has a molecular weight of 313.24 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene is sourced from PubChem (CID 145072722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).