3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one

C14H16ClNO3 — CID 47287542

IUPAC3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H16ClNO3/c15-11-3-1-10(2-4-11)13-9-16(6-8-18-13)12-5-7-19-14(12)17/h1-4,12-13H,5-9H2
InChIKeyHIIJQPIOPNBTFA-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.03
Rot. Bonds2

About 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one

3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one (PubChem CID 47287542) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one
PubChem CID47287542
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H16ClNO3/c15-11-3-1-10(2-4-11)13-9-16(6-8-18-13)12-5-7-19-14(12)17/h1-4,12-13H,5-9H2
InChIKeyHIIJQPIOPNBTFA-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one (CID 47287542) is 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one is O=C1OCCC1N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one?
The InChIKey is HIIJQPIOPNBTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-3-1-10(2-4-11)13-9-16(6-8-18-13)12-5-7-19-14(12)17/h1-4,12-13H,5-9H2.
What are the key properties of 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one?
3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one has a molecular weight of 281.74 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)morpholin-4-yl]oxolan-2-one is sourced from PubChem (CID 47287542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).