4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine

C19H18ClNO2 — CID 102425525

IUPAC4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine
SMILESClc1ccc2oc(Cc3ccccc3)c(N3CCOCC3)c2c1
InChIInChI=1S/C19H18ClNO2/c20-15-6-7-17-16(13-15)19(21-8-10-22-11-9-21)18(23-17)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2
InChIKeyICVYTBYUANJAKE-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.51
Rot. Bonds3

About 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine

4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine (PubChem CID 102425525) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine.

Molecular Properties

Compound Name4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine
PubChem CID102425525
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine
SMILESClc1ccc2oc(Cc3ccccc3)c(N3CCOCC3)c2c1
InChIInChI=1S/C19H18ClNO2/c20-15-6-7-17-16(13-15)19(21-8-10-22-11-9-21)18(23-17)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2
InChIKeyICVYTBYUANJAKE-UHFFFAOYSA-N
XLogP4.51
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine?
The IUPAC name of 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine (CID 102425525) is 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine.
What is the SMILES notation for 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine?
The canonical SMILES for 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine is Clc1ccc2oc(Cc3ccccc3)c(N3CCOCC3)c2c1.
What is the InChIKey of 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine?
The InChIKey is ICVYTBYUANJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c20-15-6-7-17-16(13-15)19(21-8-10-22-11-9-21)18(23-17)12-14-4-2-1-3-5-14/h1-7,13H,8-12H2.
What are the key properties of 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine?
4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine has a molecular weight of 327.81 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzyl-5-chloro-1-benzofuran-3-yl)morpholine is sourced from PubChem (CID 102425525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).