3-(3-bromopropoxy)propan-1-ol

C6H13BrO2 — CID 87397026

IUPAC3-(3-bromopropoxy)propan-1-ol
SMILESOCCCOCCCBr
InChIInChI=1S/C6H13BrO2/c7-3-1-5-9-6-2-4-8/h8H,1-6H2
InChIKeyFZXUHLVNXIAYFS-UHFFFAOYSA-N
MW197.07 g/mol
LogP1.17
Rot. Bonds6

About 3-(3-bromopropoxy)propan-1-ol

3-(3-bromopropoxy)propan-1-ol (PubChem CID 87397026) has the molecular formula C6H13BrO2 and a molecular weight of 197.07 g/mol. Its IUPAC name is 3-(3-bromopropoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromopropoxy)propan-1-ol
PubChem CID87397026
Molecular FormulaC6H13BrO2
Molecular Weight197.07 g/mol
Exact Mass196.01
IUPAC Name3-(3-bromopropoxy)propan-1-ol
SMILESOCCCOCCCBr
InChIInChI=1S/C6H13BrO2/c7-3-1-5-9-6-2-4-8/h8H,1-6H2
InChIKeyFZXUHLVNXIAYFS-UHFFFAOYSA-N
XLogP1.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.07
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropoxy)propan-1-ol?
The IUPAC name of 3-(3-bromopropoxy)propan-1-ol (CID 87397026) is 3-(3-bromopropoxy)propan-1-ol.
What is the SMILES notation for 3-(3-bromopropoxy)propan-1-ol?
The canonical SMILES for 3-(3-bromopropoxy)propan-1-ol is OCCCOCCCBr.
What is the InChIKey of 3-(3-bromopropoxy)propan-1-ol?
The InChIKey is FZXUHLVNXIAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO2/c7-3-1-5-9-6-2-4-8/h8H,1-6H2.
What are the key properties of 3-(3-bromopropoxy)propan-1-ol?
3-(3-bromopropoxy)propan-1-ol has a molecular weight of 197.07 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropoxy)propan-1-ol is sourced from PubChem (CID 87397026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).