1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene

C12H13Br — CID 130375540

IUPAC1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene
SMILESCC1CC(=Cc2ccc(Br)cc2)C1
InChIInChI=1S/C12H13Br/c1-9-6-11(7-9)8-10-2-4-12(13)5-3-10/h2-5,8-9H,6-7H2,1H3/b11-8-
InChIKeyHYNMBQPNXOCRRK-FLIBITNWSA-N
MW237.14 g/mol
LogP4.26
Rot. Bonds1

About 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene

1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene (PubChem CID 130375540) has the molecular formula C12H13Br and a molecular weight of 237.14 g/mol. Its IUPAC name is 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene
PubChem CID130375540
Molecular FormulaC12H13Br
Molecular Weight237.14 g/mol
Exact Mass236.02
IUPAC Name1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene
SMILESCC1CC(=Cc2ccc(Br)cc2)C1
InChIInChI=1S/C12H13Br/c1-9-6-11(7-9)8-10-2-4-12(13)5-3-10/h2-5,8-9H,6-7H2,1H3/b11-8-
InChIKeyHYNMBQPNXOCRRK-FLIBITNWSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene?
The IUPAC name of 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene (CID 130375540) is 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene?
The canonical SMILES for 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene is CC1CC(=Cc2ccc(Br)cc2)C1.
What is the InChIKey of 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene?
The InChIKey is HYNMBQPNXOCRRK-FLIBITNWSA-N. The full InChI is InChI=1S/C12H13Br/c1-9-6-11(7-9)8-10-2-4-12(13)5-3-10/h2-5,8-9H,6-7H2,1H3/b11-8-.
What are the key properties of 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene?
1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene has a molecular weight of 237.14 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(3-methylcyclobutylidene)methyl]benzene is sourced from PubChem (CID 130375540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).