2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran

C14H17BrO2 — CID 106471713

IUPAC2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESBrC1CCOCC1CC1Cc2ccccc2O1
InChIInChI=1S/C14H17BrO2/c15-13-5-6-16-9-11(13)8-12-7-10-3-1-2-4-14(10)17-12/h1-4,11-13H,5-9H2
InChIKeyRBTCKYMYRCHUEL-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.18
Rot. Bonds2

About 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran

2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 106471713) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID106471713
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESBrC1CCOCC1CC1Cc2ccccc2O1
InChIInChI=1S/C14H17BrO2/c15-13-5-6-16-9-11(13)8-12-7-10-3-1-2-4-14(10)17-12/h1-4,11-13H,5-9H2
InChIKeyRBTCKYMYRCHUEL-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.18
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

3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propyloxan-4-amine
CID 106469582
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-amine
CID 66363798
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 66363431
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
2-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 66364994
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 66364972
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 66365365
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
2-(2,3-dihydro-1-benzofuran-2-yl)-1-[3-(oxolan-3-ylamino)azetidin-1-yl]ethanone
CID 167992200

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran (CID 106471713) is 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran is BrC1CCOCC1CC1Cc2ccccc2O1.
What is the InChIKey of 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is RBTCKYMYRCHUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c15-13-5-6-16-9-11(13)8-12-7-10-3-1-2-4-14(10)17-12/h1-4,11-13H,5-9H2.
What are the key properties of 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran?
2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 297.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromooxan-3-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 106471713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).