1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene

C15H19BrO — CID 54162111

IUPAC1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
SMILESCOc1ccc(C=CCCC=CCCBr)cc1
InChIInChI=1S/C15H19BrO/c1-17-15-11-9-14(10-12-15)8-6-4-2-3-5-7-13-16/h3,5-6,8-12H,2,4,7,13H2,1H3
InChIKeyOPDHWTHFBPLUOL-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.83
Rot. Bonds7

About 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene

1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene (PubChem CID 54162111) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
PubChem CID54162111
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene
SMILESCOc1ccc(C=CCCC=CCCBr)cc1
InChIInChI=1S/C15H19BrO/c1-17-15-11-9-14(10-12-15)8-6-4-2-3-5-7-13-16/h3,5-6,8-12H,2,4,7,13H2,1H3
InChIKeyOPDHWTHFBPLUOL-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
2-(4-bromobut-1-enyl)-4-methoxy-1-methylbenzene
CID 170497358
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene?
The IUPAC name of 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene (CID 54162111) is 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene.
What is the SMILES notation for 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene?
The canonical SMILES for 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene is COc1ccc(C=CCCC=CCCBr)cc1.
What is the InChIKey of 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene?
The InChIKey is OPDHWTHFBPLUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO/c1-17-15-11-9-14(10-12-15)8-6-4-2-3-5-7-13-16/h3,5-6,8-12H,2,4,7,13H2,1H3.
What are the key properties of 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene?
1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene has a molecular weight of 295.22 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromoocta-1,5-dienyl)-4-methoxybenzene is sourced from PubChem (CID 54162111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).