4-(4-chlorophenyl)morpholin-3-one

C10H10ClNO2 — CID 53417843

IUPAC4-(4-chlorophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7H2
InChIKeyDTUNUXOXPFRWSH-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.70
Rot. Bonds1

About 4-(4-chlorophenyl)morpholin-3-one

4-(4-chlorophenyl)morpholin-3-one (PubChem CID 53417843) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)morpholin-3-one
PubChem CID53417843
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-(4-chlorophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7H2
InChIKeyDTUNUXOXPFRWSH-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)morpholin-3-one?
The IUPAC name of 4-(4-chlorophenyl)morpholin-3-one (CID 53417843) is 4-(4-chlorophenyl)morpholin-3-one.
What is the SMILES notation for 4-(4-chlorophenyl)morpholin-3-one?
The canonical SMILES for 4-(4-chlorophenyl)morpholin-3-one is O=C1COCCN1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)morpholin-3-one?
The InChIKey is DTUNUXOXPFRWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7H2.
What are the key properties of 4-(4-chlorophenyl)morpholin-3-one?
4-(4-chlorophenyl)morpholin-3-one has a molecular weight of 211.65 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 53417843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).