3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine

C18H18ClNO — CID 79460494

IUPAC3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine
SMILESClc1ccccc1C1(CC2Cc3ccccc3O2)CNC1
InChIInChI=1S/C18H18ClNO/c19-16-7-3-2-6-15(16)18(11-20-12-18)10-14-9-13-5-1-4-8-17(13)21-14/h1-8,14,20H,9-12H2
InChIKeyLXTPXWOVTFADHY-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.57
Rot. Bonds3

About 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine

3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine (PubChem CID 79460494) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine
PubChem CID79460494
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine
SMILESClc1ccccc1C1(CC2Cc3ccccc3O2)CNC1
InChIInChI=1S/C18H18ClNO/c19-16-7-3-2-6-15(16)18(11-20-12-18)10-14-9-13-5-1-4-8-17(13)21-14/h1-8,14,20H,9-12H2
InChIKeyLXTPXWOVTFADHY-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine?
The IUPAC name of 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine (CID 79460494) is 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine?
The canonical SMILES for 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine is Clc1ccccc1C1(CC2Cc3ccccc3O2)CNC1.
What is the InChIKey of 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine?
The InChIKey is LXTPXWOVTFADHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-16-7-3-2-6-15(16)18(11-20-12-18)10-14-9-13-5-1-4-8-17(13)21-14/h1-8,14,20H,9-12H2.
What are the key properties of 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine?
3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine has a molecular weight of 299.80 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine is sourced from PubChem (CID 79460494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).