5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran

C17H19ClO2 — CID 63447745

IUPAC5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
SMILESCc1cc(C(Cl)c2ccc3c(c2)CC(C)(C)O3)c(C)o1
InChIInChI=1S/C17H19ClO2/c1-10-7-14(11(2)19-10)16(18)12-5-6-15-13(8-12)9-17(3,4)20-15/h5-8,16H,9H2,1-4H3
InChIKeyFDJHGIVOYYTUCP-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.94
Rot. Bonds2

About 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran

5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran (PubChem CID 63447745) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
PubChem CID63447745
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
SMILESCc1cc(C(Cl)c2ccc3c(c2)CC(C)(C)O3)c(C)o1
InChIInChI=1S/C17H19ClO2/c1-10-7-14(11(2)19-10)16(18)12-5-6-15-13(8-12)9-17(3,4)20-15/h5-8,16H,9H2,1-4H3
InChIKeyFDJHGIVOYYTUCP-UHFFFAOYSA-N
XLogP4.94
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.94
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

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 62324505
5-[chloro-(4-methoxyphenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447977
5-[chloro-(2-methoxyphenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447348
5-[chloro-(3,5-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447840
5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447881
5-[chloro-(3-fluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447349
5-[chloro-(5-iodothiophen-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 79683676
5-[chloro-(5-nitrofuran-2-yl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 62325077
5-(1-chloro-2,2,2-trifluoroethyl)-2,2-dimethyl-3H-1-benzofuran
CID 55061822
3-[chloro-(3,4-difluorophenyl)methyl]-2,5-dimethylfuran
CID 61084772
5-(1-bromo-2-methylpropyl)-2,2-dimethyl-3H-1-benzofuran
CID 63447752
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(3-fluoro-4-methylphenyl)methanol
CID 62325437

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran (CID 63447745) is 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran is Cc1cc(C(Cl)c2ccc3c(c2)CC(C)(C)O3)c(C)o1.
What is the InChIKey of 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is FDJHGIVOYYTUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-10-7-14(11(2)19-10)16(18)12-5-6-15-13(8-12)9-17(3,4)20-15/h5-8,16H,9H2,1-4H3.
What are the key properties of 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran?
5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 290.79 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 63447745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).