[5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol

C15H25BrO3 — CID 19996115

IUPAC[5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol
SMILESOCc1ccc(CCCCOCCCCCCBr)o1
InChIInChI=1S/C15H25BrO3/c16-10-4-1-2-5-11-18-12-6-3-7-14-8-9-15(13-17)19-14/h8-9,17H,1-7,10-13H2
InChIKeyRTZPJQKKYPUQGT-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.07
Rot. Bonds12

About [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol

[5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol (PubChem CID 19996115) has the molecular formula C15H25BrO3 and a molecular weight of 333.27 g/mol. Its IUPAC name is [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol
PubChem CID19996115
Molecular FormulaC15H25BrO3
Molecular Weight333.27 g/mol
Exact Mass332.10
IUPAC Name[5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol
SMILESOCc1ccc(CCCCOCCCCCCBr)o1
InChIInChI=1S/C15H25BrO3/c16-10-4-1-2-5-11-18-12-6-3-7-14-8-9-15(13-17)19-14/h8-9,17H,1-7,10-13H2
InChIKeyRTZPJQKKYPUQGT-UHFFFAOYSA-N
XLogP4.07
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol?
The IUPAC name of [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol (CID 19996115) is [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol is OCc1ccc(CCCCOCCCCCCBr)o1.
What is the InChIKey of [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol?
The InChIKey is RTZPJQKKYPUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO3/c16-10-4-1-2-5-11-18-12-6-3-7-14-8-9-15(13-17)19-14/h8-9,17H,1-7,10-13H2.
What are the key properties of [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol?
[5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol has a molecular weight of 333.27 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(6-bromohexoxy)butyl]furan-2-yl]methanol is sourced from PubChem (CID 19996115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).