1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol

C15H21Cl2NO2 — CID 107308188

IUPAC1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2,18-6-8-20-9-7-18)13(19)10-11-4-3-5-12(16)14(11)17/h3-5,13,19H,6-10H2,1-2H3
InChIKeyCTUPEDDFYOSOBR-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.01
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol

1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol (PubChem CID 107308188) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
PubChem CID107308188
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol
SMILESCC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2,18-6-8-20-9-7-18)13(19)10-11-4-3-5-12(16)14(11)17/h3-5,13,19H,6-10H2,1-2H3
InChIKeyCTUPEDDFYOSOBR-UHFFFAOYSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol (CID 107308188) is 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol is CC(C)(C(O)Cc1cccc(Cl)c1Cl)N1CCOCC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
The InChIKey is CTUPEDDFYOSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-15(2,18-6-8-20-9-7-18)13(19)10-11-4-3-5-12(16)14(11)17/h3-5,13,19H,6-10H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol?
1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol has a molecular weight of 318.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-ol is sourced from PubChem (CID 107308188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).