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

C15H19ClO — CID 107294248

IUPAC5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran
SMILESCC1CC1C(Cl)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C15H19ClO/c1-9-6-11(9)14(16)10-4-5-13-12(7-10)15(2,3)8-17-13/h4-5,7,9,11,14H,6,8H2,1-3H3
InChIKeyJXGRQBZVCCXUJQ-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.29
Rot. Bonds2

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

5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran (PubChem CID 107294248) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran
PubChem CID107294248
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran
SMILESCC1CC1C(Cl)c1ccc2c(c1)C(C)(C)CO2
InChIInChI=1S/C15H19ClO/c1-9-6-11(9)14(16)10-4-5-13-12(7-10)15(2,3)8-17-13/h4-5,7,9,11,14H,6,8H2,1-3H3
InChIKeyJXGRQBZVCCXUJQ-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro(oxolan-3-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294309
5-[chloro-(3,5-dichlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294269
5-(1-chloro-3,3-dimethylbutyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294244
5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294225
5-[chloro-(3-chlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294378
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
N-[(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107293748
5-[chloro(thiophen-3-yl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294360
5-[chloro-(2,5-dichlorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294266
5-[chloro-(4-chloro-3-fluorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107992313

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran?
The IUPAC name of 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran (CID 107294248) is 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran.
What is the SMILES notation for 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran?
The canonical SMILES for 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran is CC1CC1C(Cl)c1ccc2c(c1)C(C)(C)CO2.
What is the InChIKey of 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran?
The InChIKey is JXGRQBZVCCXUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-9-6-11(9)14(16)10-4-5-13-12(7-10)15(2,3)8-17-13/h4-5,7,9,11,14H,6,8H2,1-3H3.
What are the key properties of 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran?
5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran has a molecular weight of 250.77 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-methylcyclopropyl)methyl]-3,3-dimethyl-2H-1-benzofuran is sourced from PubChem (CID 107294248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).