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

C13H11ClO2 — CID 63019208

IUPAC5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran
SMILESClC(c1ccc2c(c1)COC2)c1ccco1
InChIInChI=1S/C13H11ClO2/c14-13(12-2-1-5-16-12)9-3-4-10-7-15-8-11(10)6-9/h1-6,13H,7-8H2
InChIKeyPTHIEEYWSAUHTJ-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.64
Rot. Bonds2

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

5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 63019208) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID63019208
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran
SMILESClC(c1ccc2c(c1)COC2)c1ccco1
InChIInChI=1S/C13H11ClO2/c14-13(12-2-1-5-16-12)9-3-4-10-7-15-8-11(10)6-9/h1-6,13H,7-8H2
InChIKeyPTHIEEYWSAUHTJ-UHFFFAOYSA-N
XLogP3.64
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.64
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-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021653
7-[chloro(furan-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61085451
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1,3-dihydro-2-benzofuran
CID 63742340
5-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 81128133
5-[(2-bromo-4-fluorophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 55143480
5-[(5-bromo-2-iodophenyl)-chloromethyl]-1,3-dihydro-2-benzofuran
CID 114033434
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran
CID 66477542
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydro-2-benzofuran
CID 63019930
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran (CID 63019208) is 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran is ClC(c1ccc2c(c1)COC2)c1ccco1.
What is the InChIKey of 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is PTHIEEYWSAUHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c14-13(12-2-1-5-16-12)9-3-4-10-7-15-8-11(10)6-9/h1-6,13H,7-8H2.
What are the key properties of 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran?
5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 234.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 63019208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).