5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran

C13H17ClO — CID 79837255

IUPAC5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC(C)(CCCl)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17ClO/c1-13(2,6-7-14)11-3-4-12-10(9-11)5-8-15-12/h3-4,9H,5-8H2,1-2H3
InChIKeyUUXLWTPEOHBNPH-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.53
Rot. Bonds3

About 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran

5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran (PubChem CID 79837255) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
PubChem CID79837255
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC(C)(CCCl)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17ClO/c1-13(2,6-7-14)11-3-4-12-10(9-11)5-8-15-12/h3-4,9H,5-8H2,1-2H3
InChIKeyUUXLWTPEOHBNPH-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.53
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

3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]amino]ethanethiol
CID 115224523
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119195
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran (CID 79837255) is 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran is CC(C)(CCCl)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is UUXLWTPEOHBNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-13(2,6-7-14)11-3-4-12-10(9-11)5-8-15-12/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran?
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 224.73 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79837255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).