2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol

C15H22ClNO2 — CID 118072920

IUPAC2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCc1cc(C2(O)OCC(C)(C)NC2C)cc(Cl)c1C
InChIInChI=1S/C15H22ClNO2/c1-9-6-12(7-13(16)10(9)2)15(18)11(3)17-14(4,5)8-19-15/h6-7,11,17-18H,8H2,1-5H3
InChIKeySPKCVKSHHHKQJM-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.89
Rot. Bonds1

About 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol

2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol (PubChem CID 118072920) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol
PubChem CID118072920
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCc1cc(C2(O)OCC(C)(C)NC2C)cc(Cl)c1C
InChIInChI=1S/C15H22ClNO2/c1-9-6-12(7-13(16)10(9)2)15(18)11(3)17-14(4,5)8-19-15/h6-7,11,17-18H,8H2,1-5H3
InChIKeySPKCVKSHHHKQJM-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The IUPAC name of 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol (CID 118072920) is 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol.
What is the SMILES notation for 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The canonical SMILES for 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol is Cc1cc(C2(O)OCC(C)(C)NC2C)cc(Cl)c1C.
What is the InChIKey of 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The InChIKey is SPKCVKSHHHKQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-9-6-12(7-13(16)10(9)2)15(18)11(3)17-14(4,5)8-19-15/h6-7,11,17-18H,8H2,1-5H3.
What are the key properties of 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,5-dimethylphenyl)-3,5,5-trimethylmorpholin-2-ol is sourced from PubChem (CID 118072920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).