6-(2-bromo-5-fluorophenoxy)hexan-1-ol

C12H16BrFO2 — CID 103867953

IUPAC6-(2-bromo-5-fluorophenoxy)hexan-1-ol
SMILESOCCCCCCOc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFO2/c13-11-6-5-10(14)9-12(11)16-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8H2
InChIKeyXPRGOKGEGPAPSC-UHFFFAOYSA-N
MW291.16 g/mol
LogP3.52
Rot. Bonds7

About 6-(2-bromo-5-fluorophenoxy)hexan-1-ol

6-(2-bromo-5-fluorophenoxy)hexan-1-ol (PubChem CID 103867953) has the molecular formula C12H16BrFO2 and a molecular weight of 291.16 g/mol. Its IUPAC name is 6-(2-bromo-5-fluorophenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(2-bromo-5-fluorophenoxy)hexan-1-ol
PubChem CID103867953
Molecular FormulaC12H16BrFO2
Molecular Weight291.16 g/mol
Exact Mass290.03
IUPAC Name6-(2-bromo-5-fluorophenoxy)hexan-1-ol
SMILESOCCCCCCOc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFO2/c13-11-6-5-10(14)9-12(11)16-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8H2
InChIKeyXPRGOKGEGPAPSC-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
5-(2-bromo-5-nitrophenoxy)pentan-1-ol
CID 102975174
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
6-(2-bromo-4-methylphenoxy)hexan-1-ol
CID 103801841
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
2-(2-bromo-5-fluorophenoxy)acetamide
CID 81494596
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
tert-butyl 3-(2-bromo-5-fluorophenoxy)propanoate
CID 116659251

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-5-fluorophenoxy)hexan-1-ol?
The IUPAC name of 6-(2-bromo-5-fluorophenoxy)hexan-1-ol (CID 103867953) is 6-(2-bromo-5-fluorophenoxy)hexan-1-ol.
What is the SMILES notation for 6-(2-bromo-5-fluorophenoxy)hexan-1-ol?
The canonical SMILES for 6-(2-bromo-5-fluorophenoxy)hexan-1-ol is OCCCCCCOc1cc(F)ccc1Br.
What is the InChIKey of 6-(2-bromo-5-fluorophenoxy)hexan-1-ol?
The InChIKey is XPRGOKGEGPAPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFO2/c13-11-6-5-10(14)9-12(11)16-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8H2.
What are the key properties of 6-(2-bromo-5-fluorophenoxy)hexan-1-ol?
6-(2-bromo-5-fluorophenoxy)hexan-1-ol has a molecular weight of 291.16 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-5-fluorophenoxy)hexan-1-ol is sourced from PubChem (CID 103867953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).