1-bromopentan-3-ol

C5H11BrO — CID 15110789

IUPAC1-bromopentan-3-ol
SMILESCCC(O)CCBr
InChIInChI=1S/C5H11BrO/c1-2-5(7)3-4-6/h5,7H,2-4H2,1H3
InChIKeyMDEOBMBGEXCNTP-UHFFFAOYSA-N
MW167.05 g/mol
LogP1.54
Rot. Bonds3

About 1-bromopentan-3-ol

1-bromopentan-3-ol (PubChem CID 15110789) has the molecular formula C5H11BrO and a molecular weight of 167.05 g/mol. Its IUPAC name is 1-bromopentan-3-ol.

Molecular Properties

Compound Name1-bromopentan-3-ol
PubChem CID15110789
Molecular FormulaC5H11BrO
Molecular Weight167.05 g/mol
Exact Mass166.00
IUPAC Name1-bromopentan-3-ol
SMILESCCC(O)CCBr
InChIInChI=1S/C5H11BrO/c1-2-5(7)3-4-6/h5,7H,2-4H2,1H3
InChIKeyMDEOBMBGEXCNTP-UHFFFAOYSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopentan-3-ol?
The IUPAC name of 1-bromopentan-3-ol (CID 15110789) is 1-bromopentan-3-ol.
What is the SMILES notation for 1-bromopentan-3-ol?
The canonical SMILES for 1-bromopentan-3-ol is CCC(O)CCBr.
What is the InChIKey of 1-bromopentan-3-ol?
The InChIKey is MDEOBMBGEXCNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO/c1-2-5(7)3-4-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-bromopentan-3-ol?
1-bromopentan-3-ol has a molecular weight of 167.05 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopentan-3-ol is sourced from PubChem (CID 15110789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).