2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran

C15H21ClO — CID 66363473

IUPAC2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
SMILESCCCC(Cl)CCCC1Cc2ccccc2O1
InChIInChI=1S/C15H21ClO/c1-2-6-13(16)8-5-9-14-11-12-7-3-4-10-15(12)17-14/h3-4,7,10,13-14H,2,5-6,8-9,11H2,1H3
InChIKeyDESPEUBUERQTQD-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.57
Rot. Bonds6

About 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran

2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran (PubChem CID 66363473) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
PubChem CID66363473
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran
SMILESCCCC(Cl)CCCC1Cc2ccccc2O1
InChIInChI=1S/C15H21ClO/c1-2-6-13(16)8-5-9-14-11-12-7-3-4-10-15(12)17-14/h3-4,7,10,13-14H,2,5-6,8-9,11H2,1H3
InChIKeyDESPEUBUERQTQD-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.57
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

2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
6-(2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethyl-N-propylhexan-3-amine
CID 66363664
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-(2-bromooctyl)-2,3-dihydro-1-benzofuran
CID 18934310
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
CID 7071467
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)nonan-1-amine
CID 63492046
4-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 66364051

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran (CID 66363473) is 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran is CCCC(Cl)CCCC1Cc2ccccc2O1.
What is the InChIKey of 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran?
The InChIKey is DESPEUBUERQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-2-6-13(16)8-5-9-14-11-12-7-3-4-10-15(12)17-14/h3-4,7,10,13-14H,2,5-6,8-9,11H2,1H3.
What are the key properties of 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran?
2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran has a molecular weight of 252.78 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroheptyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66363473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).