2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran

C15H19ClO2 — CID 66364854

IUPAC2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran
SMILESClCC1(CC2Cc3ccccc3O2)CCCOC1
InChIInChI=1S/C15H19ClO2/c16-10-15(6-3-7-17-11-15)9-13-8-12-4-1-2-5-14(12)18-13/h1-2,4-5,13H,3,6-11H2
InChIKeyYNXABQSUIZWWKK-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.42
Rot. Bonds3

About 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran

2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran (PubChem CID 66364854) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran
PubChem CID66364854
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran
SMILESClCC1(CC2Cc3ccccc3O2)CCCOC1
InChIInChI=1S/C15H19ClO2/c16-10-15(6-3-7-17-11-15)9-13-8-12-4-1-2-5-14(12)18-13/h1-2,4-5,13H,3,6-11H2
InChIKeyYNXABQSUIZWWKK-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.42
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

N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine
CID 66363257
[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
CID 66391192
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine
CID 80603246
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine
CID 113482006
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxocyclohexane-1-carboxylic acid
CID 103574935
3-[(2-bromophenyl)methyl]-3-(chloromethyl)oxane
CID 66033462
2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
CID 103766545
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 146085900
[3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)oxan-3-yl]methanamine
CID 103718556

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran (CID 66364854) is 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran is ClCC1(CC2Cc3ccccc3O2)CCCOC1.
What is the InChIKey of 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is YNXABQSUIZWWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c16-10-15(6-3-7-17-11-15)9-13-8-12-4-1-2-5-14(12)18-13/h1-2,4-5,13H,3,6-11H2.
What are the key properties of 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran?
2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 266.77 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66364854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).