7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran

C13H13ClO — CID 114747098

IUPAC7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran
SMILESClC1C=C(c2cccc3c2OCC3)CC1
InChIInChI=1S/C13H13ClO/c14-11-5-4-10(8-11)12-3-1-2-9-6-7-15-13(9)12/h1-3,8,11H,4-7H2
InChIKeyOATJKXRBSGMVMU-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.41
Rot. Bonds1

About 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran

7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran (PubChem CID 114747098) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran
PubChem CID114747098
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran
SMILESClC1C=C(c2cccc3c2OCC3)CC1
InChIInChI=1S/C13H13ClO/c14-11-5-4-10(8-11)12-3-1-2-9-6-7-15-13(9)12/h1-3,8,11H,4-7H2
InChIKeyOATJKXRBSGMVMU-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.41
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

8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene
CID 107383866
3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine
CID 114746986
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117290116
8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
CID 106781675
7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
CID 173176078
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline
CID 107616064
2,3-dihydro-1-benzofuran-7-amine;hydrobromide
CID 168986288
7-cyclobutyloxy-2,3-dihydro-1-benzofuran
CID 142323380
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran (CID 114747098) is 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran is ClC1C=C(c2cccc3c2OCC3)CC1.
What is the InChIKey of 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is OATJKXRBSGMVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c14-11-5-4-10(8-11)12-3-1-2-9-6-7-15-13(9)12/h1-3,8,11H,4-7H2.
What are the key properties of 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran?
7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 220.70 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorocyclopenten-1-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 114747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).