(2S)-2-bromopentan-1-ol

C5H11BrO — CID 101373163

IUPAC(2S)-2-bromopentan-1-ol
SMILESCCC[C@H](Br)CO
InChIInChI=1S/C5H11BrO/c1-2-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyXESPVLOCYXGKNB-YFKPBYRVSA-N
MW167.05 g/mol
LogP1.54
Rot. Bonds3

About (2S)-2-bromopentan-1-ol

(2S)-2-bromopentan-1-ol (PubChem CID 101373163) has the molecular formula C5H11BrO and a molecular weight of 167.05 g/mol. Its IUPAC name is (2S)-2-bromopentan-1-ol.

Molecular Properties

Compound Name(2S)-2-bromopentan-1-ol
PubChem CID101373163
Molecular FormulaC5H11BrO
Molecular Weight167.05 g/mol
Exact Mass166.00
IUPAC Name(2S)-2-bromopentan-1-ol
SMILESCCC[C@H](Br)CO
InChIInChI=1S/C5H11BrO/c1-2-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-/m0/s1
InChIKeyXESPVLOCYXGKNB-YFKPBYRVSA-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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Related Compounds

(2R)-2-bromohexan-1-ol
CID 131142096
3-bromohexane
CID 18806
2-(aminomethyl)-4-bromoheptan-1-ol
CID 166967667
6-amino-2-bromohexan-1-ol
CID 110189651
5-bromooct-2-ene
CID 57219131
(4S,5S)-5-bromooctan-4-ol
CID 101139699
azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
(2S)-2-amino-3-propylhexan-1-ol
CID 154703433
4-bromo-2,3-dimethylheptane
CID 83051461
butane-1,1-diol;butane-1,2,3,4-tetrol
CID 175408326
(2S,3S)-2,3-difluorohexan-1-ol
CID 57045572
(2R)-2-bromopropan-1-ol
CID 12579096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromopentan-1-ol?
The IUPAC name of (2S)-2-bromopentan-1-ol (CID 101373163) is (2S)-2-bromopentan-1-ol.
What is the SMILES notation for (2S)-2-bromopentan-1-ol?
The canonical SMILES for (2S)-2-bromopentan-1-ol is CCC[C@H](Br)CO.
What is the InChIKey of (2S)-2-bromopentan-1-ol?
The InChIKey is XESPVLOCYXGKNB-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11BrO/c1-2-3-5(6)4-7/h5,7H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-bromopentan-1-ol?
(2S)-2-bromopentan-1-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 (2S)-2-bromopentan-1-ol is sourced from PubChem (CID 101373163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).