3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran

C16H21ClO — CID 112570500

IUPAC3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran
SMILESClCC(CC1COc2ccccc21)C1CCCC1
InChIInChI=1S/C16H21ClO/c17-10-13(12-5-1-2-6-12)9-14-11-18-16-8-4-3-7-15(14)16/h3-4,7-8,12-14H,1-2,5-6,9-11H2
InChIKeyXQTFGYZJLDVBDG-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.60
Rot. Bonds4

About 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran

3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran (PubChem CID 112570500) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran
PubChem CID112570500
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran
SMILESClCC(CC1COc2ccccc21)C1CCCC1
InChIInChI=1S/C16H21ClO/c17-10-13(12-5-1-2-6-12)9-14-11-18-16-8-4-3-7-15(14)16/h3-4,7-8,12-14H,1-2,5-6,9-11H2
InChIKeyXQTFGYZJLDVBDG-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.60
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

1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79220400
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 83138647
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
CID 79449029
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(thian-2-yl)methanamine
CID 80600514
2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine
CID 104770430

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran (CID 112570500) is 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran is ClCC(CC1COc2ccccc21)C1CCCC1.
What is the InChIKey of 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran?
The InChIKey is XQTFGYZJLDVBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c17-10-13(12-5-1-2-6-12)9-14-11-18-16-8-4-3-7-15(14)16/h3-4,7-8,12-14H,1-2,5-6,9-11H2.
What are the key properties of 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran?
3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran has a molecular weight of 264.80 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 112570500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).