3-bromopropan-1-ol

C6H14Br2O2 — CID 159919052

IUPAC3-bromopropan-1-ol
SMILESOCCCBr.OCCCBr
InChIInChI=1S/2C3H7BrO/c2*4-2-1-3-5/h2*5H,1-3H2
InChIKeyNYDXMMUWIOVCHX-UHFFFAOYSA-N
MW277.98 g/mol
LogP1.53
Rot. Bonds4

About 3-bromopropan-1-ol

3-bromopropan-1-ol (PubChem CID 159919052) has the molecular formula C6H14Br2O2 and a molecular weight of 277.98 g/mol. Its IUPAC name is 3-bromopropan-1-ol.

Molecular Properties

Compound Name3-bromopropan-1-ol
PubChem CID159919052
Molecular FormulaC6H14Br2O2
Molecular Weight277.98 g/mol
Exact Mass275.94
IUPAC Name3-bromopropan-1-ol
SMILESOCCCBr.OCCCBr
InChIInChI=1S/2C3H7BrO/c2*4-2-1-3-5/h2*5H,1-3H2
InChIKeyNYDXMMUWIOVCHX-UHFFFAOYSA-N
XLogP1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.98
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-bromohexadecan-1-ol
CID 2757013
2-[2-(2-bromoethoxy)ethoxy]ethanol;3-bromopropan-1-ol
CID 157347530
5-(6-bromohexylsulfanyl)pentan-1-ol
CID 142704924
(Z)-21-bromohenicos-11-en-1-ol
CID 134982012
3-bromopropan-1-ol;triphenylphosphane
CID 87481966
(E)-7-bromohept-3-en-1-ol
CID 163205000
8-bromooctan-1-ol;oxane
CID 174689530
9-bromononan-1-ol;oxane
CID 175312868
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994

Frequently Asked Questions

What is the IUPAC name of 3-bromopropan-1-ol?
The IUPAC name of 3-bromopropan-1-ol (CID 159919052) is 3-bromopropan-1-ol.
What is the SMILES notation for 3-bromopropan-1-ol?
The canonical SMILES for 3-bromopropan-1-ol is OCCCBr.OCCCBr.
What is the InChIKey of 3-bromopropan-1-ol?
The InChIKey is NYDXMMUWIOVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7BrO/c2*4-2-1-3-5/h2*5H,1-3H2.
What are the key properties of 3-bromopropan-1-ol?
3-bromopropan-1-ol has a molecular weight of 277.98 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopropan-1-ol is sourced from PubChem (CID 159919052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).