[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C18H20ClNO4 — CID 6457907

IUPAC[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC(C)O1
InChIInChI=1S/C18H20ClNO4/c1-12-9-20(10-13(2)23-12)18(21)17-8-7-14(24-17)11-22-16-6-4-3-5-15(16)19/h3-8,12-13H,9-11H2,1-2H3
InChIKeySOJJQDYHQWQBHD-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.76
Rot. Bonds4

About [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 6457907) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID6457907
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC(C)O1
InChIInChI=1S/C18H20ClNO4/c1-12-9-20(10-13(2)23-12)18(21)17-8-7-14(24-17)11-22-16-6-4-3-5-15(16)19/h3-8,12-13H,9-11H2,1-2H3
InChIKeySOJJQDYHQWQBHD-UHFFFAOYSA-N
XLogP3.76
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 6457907) is [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC(C)O1.
What is the InChIKey of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is SOJJQDYHQWQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-12-9-20(10-13(2)23-12)18(21)17-8-7-14(24-17)11-22-16-6-4-3-5-15(16)19/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 349.81 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 6457907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).