3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran

C18H17ClO — CID 79219731

IUPAC3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC1c2ccccc2CC1CC1COc2ccccc21
InChIInChI=1S/C18H17ClO/c19-18-13(9-12-5-1-2-7-16(12)18)10-14-11-20-17-8-4-3-6-15(14)17/h1-8,13-14,18H,9-11H2
InChIKeySLIBRKAIHVJKNK-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.71
Rot. Bonds2

About 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran

3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 79219731) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID79219731
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran
SMILESClC1c2ccccc2CC1CC1COc2ccccc21
InChIInChI=1S/C18H17ClO/c19-18-13(9-12-5-1-2-7-16(12)18)10-14-11-20-17-8-4-3-6-15(14)17/h1-8,13-14,18H,9-11H2
InChIKeySLIBRKAIHVJKNK-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran (CID 79219731) is 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran is ClC1c2ccccc2CC1CC1COc2ccccc21.
What is the InChIKey of 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is SLIBRKAIHVJKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO/c19-18-13(9-12-5-1-2-7-16(12)18)10-14-11-20-17-8-4-3-6-15(14)17/h1-8,13-14,18H,9-11H2.
What are the key properties of 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran?
3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 284.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-chloro-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79219731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).