2-bromooctan-3-ol

C8H17BrO — CID 12604196

IUPAC2-bromooctan-3-ol
SMILESCCCCCC(O)C(C)Br
InChIInChI=1S/C8H17BrO/c1-3-4-5-6-8(10)7(2)9/h7-8,10H,3-6H2,1-2H3
InChIKeyPXUQVOJRSHJHFG-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.71
Rot. Bonds5

About 2-bromooctan-3-ol

2-bromooctan-3-ol (PubChem CID 12604196) has the molecular formula C8H17BrO and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-bromooctan-3-ol.

Molecular Properties

Compound Name2-bromooctan-3-ol
PubChem CID12604196
Molecular FormulaC8H17BrO
Molecular Weight209.13 g/mol
Exact Mass208.05
IUPAC Name2-bromooctan-3-ol
SMILESCCCCCC(O)C(C)Br
InChIInChI=1S/C8H17BrO/c1-3-4-5-6-8(10)7(2)9/h7-8,10H,3-6H2,1-2H3
InChIKeyPXUQVOJRSHJHFG-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-Bromo-1-dodecanol
CID 137895
11-Bromo-1-undecanol
CID 74163
1-Decanol, 10-bromo-
CID 104507
1-Nonanol, 9-bromo-
CID 108700
1-Octanol, 8-bromo-
CID 162607
15-Bromopentadecan-1-ol
CID 543850
2-Dodecanol, 1-bromo-
CID 12431739
1-Dodecanol, 2-bromo-
CID 12431741
1-Decanol, 9,10-dibromo-
CID 14103462
2-Bromododecane-1,12-diol
CID 10265707
3-Bromododecane-1,12-diol
CID 10446430
13-Bromo-1-tridecanol
CID 1636619

Frequently Asked Questions

What is the IUPAC name of 2-bromooctan-3-ol?
The IUPAC name of 2-bromooctan-3-ol (CID 12604196) is 2-bromooctan-3-ol.
What is the SMILES notation for 2-bromooctan-3-ol?
The canonical SMILES for 2-bromooctan-3-ol is CCCCCC(O)C(C)Br.
What is the InChIKey of 2-bromooctan-3-ol?
The InChIKey is PXUQVOJRSHJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO/c1-3-4-5-6-8(10)7(2)9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-bromooctan-3-ol?
2-bromooctan-3-ol has a molecular weight of 209.13 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromooctan-3-ol is sourced from PubChem (CID 12604196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).