1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one

C14H18ClNO2 — CID 82123223

IUPAC1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(Cl)c(N2CCOCC2)c1
InChIInChI=1S/C14H18ClNO2/c1-10(2)14(17)11-3-4-12(15)13(9-11)16-5-7-18-8-6-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOYXLHRSOCREVMI-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.02
Rot. Bonds3

About 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one

1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one (PubChem CID 82123223) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one
PubChem CID82123223
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(Cl)c(N2CCOCC2)c1
InChIInChI=1S/C14H18ClNO2/c1-10(2)14(17)11-3-4-12(15)13(9-11)16-5-7-18-8-6-16/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOYXLHRSOCREVMI-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
4-chloro-3-morpholin-4-ylbenzohydrazide
CID 7148384
2-methyl-1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
CID 82115885
4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434
4-chloro-3-piperidin-1-ylbenzoic acid
CID 7148438
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
(4-chloro-3-pyrrolidin-1-ylphenyl)-(4-methylphenyl)methanone
CID 168515724
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one (CID 82123223) is 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(Cl)c(N2CCOCC2)c1.
What is the InChIKey of 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one?
The InChIKey is OYXLHRSOCREVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(2)14(17)11-3-4-12(15)13(9-11)16-5-7-18-8-6-16/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one?
1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one has a molecular weight of 267.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-morpholin-4-ylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 82123223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).