1-(3-bromo-4-methylphenyl)octan-1-ol

C15H23BrO — CID 115783206

IUPAC1-(3-bromo-4-methylphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H23BrO/c1-3-4-5-6-7-8-15(17)13-10-9-12(2)14(16)11-13/h9-11,15,17H,3-8H2,1-2H3
InChIKeySVPJDHXHBCZOFI-UHFFFAOYSA-N
MW299.25 g/mol
LogP5.15
Rot. Bonds7

About 1-(3-bromo-4-methylphenyl)octan-1-ol

1-(3-bromo-4-methylphenyl)octan-1-ol (PubChem CID 115783206) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)octan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)octan-1-ol
PubChem CID115783206
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name1-(3-bromo-4-methylphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H23BrO/c1-3-4-5-6-7-8-15(17)13-10-9-12(2)14(16)11-13/h9-11,15,17H,3-8H2,1-2H3
InChIKeySVPJDHXHBCZOFI-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.25
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(3-bromo-4-chlorophenyl)undecan-1-ol
CID 115566565
1-(4-bromo-3-fluorophenyl)nonan-1-ol
CID 81436906
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
CID 115810923

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)octan-1-ol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)octan-1-ol (CID 115783206) is 1-(3-bromo-4-methylphenyl)octan-1-ol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)octan-1-ol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)octan-1-ol is CCCCCCCC(O)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)octan-1-ol?
The InChIKey is SVPJDHXHBCZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-3-4-5-6-7-8-15(17)13-10-9-12(2)14(16)11-13/h9-11,15,17H,3-8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)octan-1-ol?
1-(3-bromo-4-methylphenyl)octan-1-ol has a molecular weight of 299.25 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)octan-1-ol is sourced from PubChem (CID 115783206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).