2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran

C18H17BrO2 — CID 79755929

IUPAC2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran
SMILESCC1OCCC1C(Br)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17BrO2/c1-11-13(8-9-20-11)18(19)12-6-7-17-15(10-12)14-4-2-3-5-16(14)21-17/h2-7,10-11,13,18H,8-9H2,1H3
InChIKeyVQYLKZDITHIIHJ-UHFFFAOYSA-N
MW345.24 g/mol
LogP5.45
Rot. Bonds2

About 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran

2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran (PubChem CID 79755929) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran.

Molecular Properties

Compound Name2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran
PubChem CID79755929
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran
SMILESCC1OCCC1C(Br)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H17BrO2/c1-11-13(8-9-20-11)18(19)12-6-7-17-15(10-12)14-4-2-3-5-16(14)21-17/h2-7,10-11,13,18H,8-9H2,1H3
InChIKeyVQYLKZDITHIIHJ-UHFFFAOYSA-N
XLogP5.45
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.24
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[bromo-(2-methyloxolan-3-yl)methyl]-3-methyl-3,4-dihydro-2H-1,5-benzodioxepine
CID 79763081
dibenzofuran-2-yl(oxan-2-yl)methanamine
CID 62214403
(1S)-1-dibenzofuran-2-ylethanol
CID 82758937
1-dibenzofuran-2-ylethanamine;hydrochloride
CID 13012128
2-[(1S)-1-chloroethyl]dibenzofuran
CID 129370090
2-(1-bromo-3,3-dimethylbutyl)dibenzofuran
CID 63437674
2-[1-chloro-2-(oxolan-2-yl)ethyl]dibenzofuran
CID 65158245
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
1-dibenzofuran-2-yl-3-methylbutan-1-amine
CID 43100935
dibenzofuran;hydrofluoride
CID 158307405
2-[4-[(4-dibenzofuran-2-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136885
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

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran?
The IUPAC name of 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran (CID 79755929) is 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran.
What is the SMILES notation for 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran?
The canonical SMILES for 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran is CC1OCCC1C(Br)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran?
The InChIKey is VQYLKZDITHIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-11-13(8-9-20-11)18(19)12-6-7-17-15(10-12)14-4-2-3-5-16(14)21-17/h2-7,10-11,13,18H,8-9H2,1H3.
What are the key properties of 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran?
2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran has a molecular weight of 345.24 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-methyloxolan-3-yl)methyl]dibenzofuran is sourced from PubChem (CID 79755929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).