2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran

C17H15ClO2 — CID 61086355

IUPAC2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)C1Cc2ccccc2O1
InChIInChI=1S/C17H15ClO2/c18-17(13-5-6-14-12(9-13)7-8-19-14)16-10-11-3-1-2-4-15(11)20-16/h1-6,9,16-17H,7-8,10H2
InChIKeyVUXSDRPBQMINSY-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.91
Rot. Bonds2

About 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran

2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 61086355) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID61086355
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC(c1ccc2c(c1)CCO2)C1Cc2ccccc2O1
InChIInChI=1S/C17H15ClO2/c18-17(13-5-6-14-12(9-13)7-8-19-14)16-10-11-3-1-2-4-15(11)20-16/h1-6,9,16-17H,7-8,10H2
InChIKeyVUXSDRPBQMINSY-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.91
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

5-[chloro(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 107127425
2-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 55198304
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79747393
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
2-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430500
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65297293
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
5-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(bromo)methyl]-2,3-dihydro-1-benzofuran
CID 66396358
7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 66394364
5-[chloro-(2-methyloxolan-3-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79763070
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
[7-bicyclo[4.2.0]octa-1,3,5-trienyl(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105224868

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran (CID 61086355) is 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran is ClC(c1ccc2c(c1)CCO2)C1Cc2ccccc2O1.
What is the InChIKey of 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is VUXSDRPBQMINSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-17(13-5-6-14-12(9-13)7-8-19-14)16-10-11-3-1-2-4-15(11)20-16/h1-6,9,16-17H,7-8,10H2.
What are the key properties of 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran?
2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 286.76 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(2,3-dihydro-1-benzofuran-5-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 61086355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).