5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran

C15H19ClO — CID 63019567

IUPAC5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
SMILESClC(CC1CCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClO/c16-15(7-11-3-1-2-4-11)12-5-6-13-9-17-10-14(13)8-12/h5-6,8,11,15H,1-4,7,9-10H2
InChIKeyXKYKRAWEOCJXGR-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.58
Rot. Bonds3

About 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran

5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran (PubChem CID 63019567) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
PubChem CID63019567
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
SMILESClC(CC1CCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClO/c16-15(7-11-3-1-2-4-11)12-5-6-13-9-17-10-14(13)8-12/h5-6,8,11,15H,1-4,7,9-10H2
InChIKeyXKYKRAWEOCJXGR-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.58
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-[1-chloro-3-(oxolan-2-yl)propyl]-1,3-dihydro-2-benzofuran
CID 65157835
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684
5-[bromo(cyclopentyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020800
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 65018267
cyclooctyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 65023088
2-bromo-4-(1-chloro-2-cyclopentylethyl)-1-fluorobenzene
CID 79742311
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
5-(1-chloro-2-cycloheptylethyl)-1,3-dihydroindol-2-one
CID 114458659
(1-chloro-2-cyclopentylethyl)benzene
CID 63428897
1-(1-chloro-2-cyclohexylethyl)-4-propan-2-ylbenzene
CID 63435035
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846765
1-bromo-4-(1-chloro-2-cyclobutylethyl)benzene
CID 103165570

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran (CID 63019567) is 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran is ClC(CC1CCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is XKYKRAWEOCJXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c16-15(7-11-3-1-2-4-11)12-5-6-13-9-17-10-14(13)8-12/h5-6,8,11,15H,1-4,7,9-10H2.
What are the key properties of 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran?
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran has a molecular weight of 250.77 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 63019567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).