1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione

C15H18ClNO3 — CID 110631141

IUPAC1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
SMILESCC1COCCN1C(=O)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-11-10-20-8-7-17(11)15(19)6-5-14(18)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyMSYPORZFUZQPRB-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione

1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione (PubChem CID 110631141) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
PubChem CID110631141
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
SMILESCC1COCCN1C(=O)CCC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-11-10-20-8-7-17(11)15(19)6-5-14(18)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyMSYPORZFUZQPRB-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-1-(3-methylmorpholin-4-yl)butan-1-one
CID 110631138
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
2-(2,4-dichlorophenoxy)-1-(3-methylmorpholin-4-yl)ethanone
CID 75765846
1-(3-chlorophenyl)-3-[3-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110352872
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
1-(4-methoxyphenyl)-5-(3-methylmorpholin-4-yl)pentane-1,5-dione
CID 110309824
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
tert-butyl 4-[4-(3-chlorophenyl)-4-oxobutanoyl]piperazine-1-carboxylate
CID 110605703
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
The IUPAC name of 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione (CID 110631141) is 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
The canonical SMILES for 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione is CC1COCCN1C(=O)CCC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
The InChIKey is MSYPORZFUZQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-11-10-20-8-7-17(11)15(19)6-5-14(18)12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione?
1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione has a molecular weight of 295.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione is sourced from PubChem (CID 110631141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).