1-(3-bromo-5-methylphenyl)oct-7-en-1-ol

C15H21BrO — CID 107012214

IUPAC1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H21BrO/c1-3-4-5-6-7-8-15(17)13-9-12(2)10-14(16)11-13/h3,9-11,15,17H,1,4-8H2,2H3
InChIKeyXCWPTWGHGBHPEW-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.93
Rot. Bonds7

About 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol

1-(3-bromo-5-methylphenyl)oct-7-en-1-ol (PubChem CID 107012214) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
PubChem CID107012214
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-(3-bromo-5-methylphenyl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H21BrO/c1-3-4-5-6-7-8-15(17)13-9-12(2)10-14(16)11-13/h3,9-11,15,17H,1,4-8H2,2H3
InChIKeyXCWPTWGHGBHPEW-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
1-(3-bromo-5-methylphenyl)-4-ethylsulfonylbutan-1-ol
CID 115803665
1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781909
1-(3-bromo-5-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987248
1-(6-methyl-3-pyridinyl)oct-7-en-1-ol
CID 107012151
1-(4-fluorophenyl)oct-7-en-1-ol
CID 107008476
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
1-(3,4-dimethylphenyl)hex-5-en-1-ol
CID 115804443
1-(3,5-dimethylphenyl)-N-propyloct-7-en-1-amine
CID 107011718
1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol
CID 107012353
1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 107978212

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol?
The IUPAC name of 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol (CID 107012214) is 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol is C=CCCCCCC(O)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol?
The InChIKey is XCWPTWGHGBHPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-3-4-5-6-7-8-15(17)13-9-12(2)10-14(16)11-13/h3,9-11,15,17H,1,4-8H2,2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol?
1-(3-bromo-5-methylphenyl)oct-7-en-1-ol has a molecular weight of 297.24 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)oct-7-en-1-ol is sourced from PubChem (CID 107012214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).