5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran

C17H23ClO — CID 65443648

IUPAC5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
SMILESClC1CCCCC(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H23ClO/c18-16-4-2-1-3-13(12-16)5-6-14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16H,1-6,9-10,12H2
InChIKeyVDIGSRVHVVUYGA-UHFFFAOYSA-N
MW278.82 g/mol
LogP4.74
Rot. Bonds3

About 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran

5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 65443648) has the molecular formula C17H23ClO and a molecular weight of 278.82 g/mol. Its IUPAC name is 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
PubChem CID65443648
Molecular FormulaC17H23ClO
Molecular Weight278.82 g/mol
Exact Mass278.14
IUPAC Name5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
SMILESClC1CCCCC(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H23ClO/c18-16-4-2-1-3-13(12-16)5-6-14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16H,1-6,9-10,12H2
InChIKeyVDIGSRVHVVUYGA-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 54.74
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-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-propylcyclohexan-1-amine
CID 65441666
N-[(3-chlorocyclopentyl)methyl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 106120915
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 81008337
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
N-[[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 81028517
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcyclohexan-1-one
CID 79417676
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran (CID 65443648) is 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran is ClC1CCCCC(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is VDIGSRVHVVUYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO/c18-16-4-2-1-3-13(12-16)5-6-14-7-8-17-15(11-14)9-10-19-17/h7-8,11,13,16H,1-6,9-10,12H2.
What are the key properties of 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran?
5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 278.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 65443648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).