4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine

C15H15Cl2NO2 — CID 142747429

IUPAC4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
SMILESClc1ccc(-c2ccc(CN3CCOCC3)o2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-13-3-1-11(9-14(13)17)15-4-2-12(20-15)10-18-5-7-19-8-6-18/h1-4,9H,5-8,10H2
InChIKeyUYOMCGBXDSPZLN-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.09
Rot. Bonds3

About 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine

4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine (PubChem CID 142747429) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
PubChem CID142747429
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine
SMILESClc1ccc(-c2ccc(CN3CCOCC3)o2)cc1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-13-3-1-11(9-14(13)17)15-4-2-12(20-15)10-18-5-7-19-8-6-18/h1-4,9H,5-8,10H2
InChIKeyUYOMCGBXDSPZLN-UHFFFAOYSA-N
XLogP4.09
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine (CID 142747429) is 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine is Clc1ccc(-c2ccc(CN3CCOCC3)o2)cc1Cl.
What is the InChIKey of 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine?
The InChIKey is UYOMCGBXDSPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-13-3-1-11(9-14(13)17)15-4-2-12(20-15)10-18-5-7-19-8-6-18/h1-4,9H,5-8,10H2.
What are the key properties of 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine?
4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine has a molecular weight of 312.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]morpholine is sourced from PubChem (CID 142747429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).