3-(1-bromopentyl)dibenzofuran

C17H17BrO — CID 114238751

IUPAC3-(1-bromopentyl)dibenzofuran
SMILESCCCCC(Br)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H17BrO/c1-2-3-7-15(18)12-9-10-14-13-6-4-5-8-16(13)19-17(14)11-12/h4-6,8-11,15H,2-3,7H2,1H3
InChIKeyARAYLUMBZVORIV-UHFFFAOYSA-N
MW317.23 g/mol
LogP6.21
Rot. Bonds4

About 3-(1-bromopentyl)dibenzofuran

3-(1-bromopentyl)dibenzofuran (PubChem CID 114238751) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 3-(1-bromopentyl)dibenzofuran.

Molecular Properties

Compound Name3-(1-bromopentyl)dibenzofuran
PubChem CID114238751
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name3-(1-bromopentyl)dibenzofuran
SMILESCCCCC(Br)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C17H17BrO/c1-2-3-7-15(18)12-9-10-14-13-6-4-5-8-16(13)19-17(14)11-12/h4-6,8-11,15H,2-3,7H2,1H3
InChIKeyARAYLUMBZVORIV-UHFFFAOYSA-N
XLogP6.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dibenzofuran-3-yl-3-methyloctan-1-ol
CID 143879494
1-dibenzofuran-2-ylhexan-1-ol
CID 63426377
1-dibenzofuran-2-ylheptan-1-ol
CID 114753371
2-(1-bromo-3,3-dimethylbutyl)dibenzofuran
CID 63437674
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
3-ethyldibenzofuran
CID 58510747
6-(1-bromopentyl)-2,3-dihydro-1,4-benzodioxine
CID 61096500
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
1-dibenzofuran-2-yl-2-methylpentan-1-ol
CID 63426339
dibenzofuran;ethanol
CID 174821059
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
6-(1-bromohexyl)-3-ethyl-1,3-benzoxazol-2-one
CID 55197474

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromopentyl)dibenzofuran?
The IUPAC name of 3-(1-bromopentyl)dibenzofuran (CID 114238751) is 3-(1-bromopentyl)dibenzofuran.
What is the SMILES notation for 3-(1-bromopentyl)dibenzofuran?
The canonical SMILES for 3-(1-bromopentyl)dibenzofuran is CCCCC(Br)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 3-(1-bromopentyl)dibenzofuran?
The InChIKey is ARAYLUMBZVORIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c1-2-3-7-15(18)12-9-10-14-13-6-4-5-8-16(13)19-17(14)11-12/h4-6,8-11,15H,2-3,7H2,1H3.
What are the key properties of 3-(1-bromopentyl)dibenzofuran?
3-(1-bromopentyl)dibenzofuran has a molecular weight of 317.23 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromopentyl)dibenzofuran is sourced from PubChem (CID 114238751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).