4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene

C15H19BrO — CID 156741287

IUPAC4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1/C=C/C1CCCCC1
InChIInChI=1S/C15H19BrO/c1-17-15-10-9-14(16)11-13(15)8-7-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3/b8-7+
InChIKeyKQKPSIWHKBLFRS-BQYQJAHWSA-N
MW295.22 g/mol
LogP5.05
Rot. Bonds3

About 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene

4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene (PubChem CID 156741287) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene
PubChem CID156741287
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1/C=C/C1CCCCC1
InChIInChI=1S/C15H19BrO/c1-17-15-10-9-14(16)11-13(15)8-7-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3/b8-7+
InChIKeyKQKPSIWHKBLFRS-BQYQJAHWSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.22
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene (CID 156741287) is 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene is COc1ccc(Br)cc1/C=C/C1CCCCC1.
What is the InChIKey of 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene?
The InChIKey is KQKPSIWHKBLFRS-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H19BrO/c1-17-15-10-9-14(16)11-13(15)8-7-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3/b8-7+.
What are the key properties of 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene?
4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene has a molecular weight of 295.22 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-2-cyclohexylethenyl]-1-methoxybenzene is sourced from PubChem (CID 156741287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).