1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene

C15H21BrO2 — CID 58460828

IUPAC1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene
SMILESCOc1ccc(O/C=C\CCCCCCBr)cc1
InChIInChI=1S/C15H21BrO2/c1-17-14-8-10-15(11-9-14)18-13-7-5-3-2-4-6-12-16/h7-11,13H,2-6,12H2,1H3/b13-7-
InChIKeyWVAPRHXXHULZQK-QPEQYQDCSA-N
MW313.24 g/mol
LogP4.93
Rot. Bonds9

About 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene

1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene (PubChem CID 58460828) has the molecular formula C15H21BrO2 and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene
PubChem CID58460828
Molecular FormulaC15H21BrO2
Molecular Weight313.24 g/mol
Exact Mass312.07
IUPAC Name1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene
SMILESCOc1ccc(O/C=C\CCCCCCBr)cc1
InChIInChI=1S/C15H21BrO2/c1-17-14-8-10-15(11-9-14)18-13-7-5-3-2-4-6-12-16/h7-11,13H,2-6,12H2,1H3/b13-7-
InChIKeyWVAPRHXXHULZQK-QPEQYQDCSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
undeca-1,9-dienyl 4-methoxybenzoate
CID 54553843
1-ethyl-4-[(E)-pent-1-enoxy]benzene
CID 89304305
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
5-nonyl-2-[4-[(E)-oct-1-enoxy]phenyl]pyrimidine
CID 19743414
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
octa-1,6-dienoxybenzene
CID 66617276
5-bromopentyl 4-methoxybenzoate
CID 164687331
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
CID 54162111
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
1-methoxy-4-[4-[4-(4-methoxyphenoxy)but-1-enoxy]but-3-enoxy]benzene
CID 139637373

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene (CID 58460828) is 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene is COc1ccc(O/C=C\CCCCCCBr)cc1.
What is the InChIKey of 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene?
The InChIKey is WVAPRHXXHULZQK-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H21BrO2/c1-17-14-8-10-15(11-9-14)18-13-7-5-3-2-4-6-12-16/h7-11,13H,2-6,12H2,1H3/b13-7-.
What are the key properties of 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene?
1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene has a molecular weight of 313.24 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene is sourced from PubChem (CID 58460828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).