2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one

C14H18ClNO2 — CID 62880416

IUPAC2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
SMILESO=C(C(Cl)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18ClNO2/c15-13(7-6-12-4-2-1-3-5-12)14(17)16-8-10-18-11-9-16/h1-5,13H,6-11H2
InChIKeyVYOAKZANXNAQEE-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.09
Rot. Bonds4

About 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one

2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one (PubChem CID 62880416) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
PubChem CID62880416
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
SMILESO=C(C(Cl)CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C14H18ClNO2/c15-13(7-6-12-4-2-1-3-5-12)14(17)16-8-10-18-11-9-16/h1-5,13H,6-11H2
InChIKeyVYOAKZANXNAQEE-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 91162995
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
CID 55047533
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
CID 97077433
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
3,5-dichloro-1,7-diphenylheptan-4-one
CID 56634500
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
CID 69434740
2-(2-morpholin-4-yl-2-oxoethyl)sulfinyl-4-phenylbutanoic acid
CID 123101724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one?
The IUPAC name of 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one (CID 62880416) is 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one.
What is the SMILES notation for 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one?
The canonical SMILES for 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one is O=C(C(Cl)CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one?
The InChIKey is VYOAKZANXNAQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13(7-6-12-4-2-1-3-5-12)14(17)16-8-10-18-11-9-16/h1-5,13H,6-11H2.
What are the key properties of 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one?
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one has a molecular weight of 267.76 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one is sourced from PubChem (CID 62880416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).