4-(3-chloro-2-methylphenyl)morpholin-3-one

C11H12ClNO2 — CID 165473298

IUPAC4-(3-chloro-2-methylphenyl)morpholin-3-one
SMILESCc1c(Cl)cccc1N1CCOCC1=O
InChIInChI=1S/C11H12ClNO2/c1-8-9(12)3-2-4-10(8)13-5-6-15-7-11(13)14/h2-4H,5-7H2,1H3
InChIKeyIXMFBRNQCACVDR-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.01
Rot. Bonds1

About 4-(3-chloro-2-methylphenyl)morpholin-3-one

4-(3-chloro-2-methylphenyl)morpholin-3-one (PubChem CID 165473298) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-(3-chloro-2-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-chloro-2-methylphenyl)morpholin-3-one
PubChem CID165473298
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name4-(3-chloro-2-methylphenyl)morpholin-3-one
SMILESCc1c(Cl)cccc1N1CCOCC1=O
InChIInChI=1S/C11H12ClNO2/c1-8-9(12)3-2-4-10(8)13-5-6-15-7-11(13)14/h2-4H,5-7H2,1H3
InChIKeyIXMFBRNQCACVDR-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylphenyl)morpholin-3-one?
The IUPAC name of 4-(3-chloro-2-methylphenyl)morpholin-3-one (CID 165473298) is 4-(3-chloro-2-methylphenyl)morpholin-3-one.
What is the SMILES notation for 4-(3-chloro-2-methylphenyl)morpholin-3-one?
The canonical SMILES for 4-(3-chloro-2-methylphenyl)morpholin-3-one is Cc1c(Cl)cccc1N1CCOCC1=O.
What is the InChIKey of 4-(3-chloro-2-methylphenyl)morpholin-3-one?
The InChIKey is IXMFBRNQCACVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-8-9(12)3-2-4-10(8)13-5-6-15-7-11(13)14/h2-4H,5-7H2,1H3.
What are the key properties of 4-(3-chloro-2-methylphenyl)morpholin-3-one?
4-(3-chloro-2-methylphenyl)morpholin-3-one has a molecular weight of 225.68 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylphenyl)morpholin-3-one is sourced from PubChem (CID 165473298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).