3-(3-chloropentyl)-2,3-dihydro-1-benzofuran

C13H17ClO — CID 79229342

IUPAC3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
SMILESCCC(Cl)CCC1COc2ccccc21
InChIInChI=1S/C13H17ClO/c1-2-11(14)8-7-10-9-15-13-6-4-3-5-12(10)13/h3-6,10-11H,2,7-9H2,1H3
InChIKeyKNZMLLAWIBODBU-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.96
Rot. Bonds4

About 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran

3-(3-chloropentyl)-2,3-dihydro-1-benzofuran (PubChem CID 79229342) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
PubChem CID79229342
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
SMILESCCC(Cl)CCC1COc2ccccc21
InChIInChI=1S/C13H17ClO/c1-2-11(14)8-7-10-9-15-13-6-4-3-5-12(10)13/h3-6,10-11H,2,7-9H2,1H3
InChIKeyKNZMLLAWIBODBU-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.96
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-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
3-(3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 14195926
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
CID 79226351
1-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79230011
2-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylpropan-1-amine
CID 79229839
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
3-(2,3-dihydro-1-benzofuran-3-yl)propanenitrile
CID 79229340
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
CID 79229508

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran (CID 79229342) is 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran is CCC(Cl)CCC1COc2ccccc21.
What is the InChIKey of 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran?
The InChIKey is KNZMLLAWIBODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO/c1-2-11(14)8-7-10-9-15-13-6-4-3-5-12(10)13/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran?
3-(3-chloropentyl)-2,3-dihydro-1-benzofuran has a molecular weight of 224.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropentyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79229342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).