3-[4-(6-bromohexoxy)phenyl]furan

C16H19BrO2 — CID 125472895

IUPAC3-[4-(6-bromohexoxy)phenyl]furan
SMILESBrCCCCCCOc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C16H19BrO2/c17-10-3-1-2-4-11-19-16-7-5-14(6-8-16)15-9-12-18-13-15/h5-9,12-13H,1-4,10-11H2
InChIKeyNRGPHTVFAGHZGG-UHFFFAOYSA-N
MW323.23 g/mol
LogP5.28
Rot. Bonds8

About 3-[4-(6-bromohexoxy)phenyl]furan

3-[4-(6-bromohexoxy)phenyl]furan (PubChem CID 125472895) has the molecular formula C16H19BrO2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-[4-(6-bromohexoxy)phenyl]furan.

Molecular Properties

Compound Name3-[4-(6-bromohexoxy)phenyl]furan
PubChem CID125472895
Molecular FormulaC16H19BrO2
Molecular Weight323.23 g/mol
Exact Mass322.06
IUPAC Name3-[4-(6-bromohexoxy)phenyl]furan
SMILESBrCCCCCCOc1ccc(-c2ccoc2)cc1
InChIInChI=1S/C16H19BrO2/c17-10-3-1-2-4-11-19-16-7-5-14(6-8-16)15-9-12-18-13-15/h5-9,12-13H,1-4,10-11H2
InChIKeyNRGPHTVFAGHZGG-UHFFFAOYSA-N
XLogP5.28
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.23
LogP ≤ 55.28
H-Bond Donors ≤ 50
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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Related Compounds

1-(5-bromopentoxy)-4-(4-hexoxyphenyl)benzene
CID 102394345
4-[4-(11-bromoundecoxy)phenyl]benzonitrile
CID 19768950
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
CID 147476993
CID 147476993
methyl 4-[4-(8-bromooctoxy)phenyl]benzoate
CID 21182253
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
11-[4-(4-cyanophenyl)phenoxy]undecyl 4-[4-(4-bromobutoxy)phenyl]benzoate
CID 102136788
11-[4-(4-cyanophenyl)phenoxy]undecyl 4-[4-(12-bromododecoxy)phenyl]benzoate
CID 102136783
4-[4-(9-bromononoxy)phenyl]-2-fluorobenzonitrile
CID 118260666
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-bromohexoxy)phenyl]furan?
The IUPAC name of 3-[4-(6-bromohexoxy)phenyl]furan (CID 125472895) is 3-[4-(6-bromohexoxy)phenyl]furan.
What is the SMILES notation for 3-[4-(6-bromohexoxy)phenyl]furan?
The canonical SMILES for 3-[4-(6-bromohexoxy)phenyl]furan is BrCCCCCCOc1ccc(-c2ccoc2)cc1.
What is the InChIKey of 3-[4-(6-bromohexoxy)phenyl]furan?
The InChIKey is NRGPHTVFAGHZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2/c17-10-3-1-2-4-11-19-16-7-5-14(6-8-16)15-9-12-18-13-15/h5-9,12-13H,1-4,10-11H2.
What are the key properties of 3-[4-(6-bromohexoxy)phenyl]furan?
3-[4-(6-bromohexoxy)phenyl]furan has a molecular weight of 323.23 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-bromohexoxy)phenyl]furan is sourced from PubChem (CID 125472895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).