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

C17H26ClNO2 — CID 118072893

IUPAC2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCc1cc(C2(O)OCC(C)(C)NC2C)cc(Cl)c1CC
InChIInChI=1S/C17H26ClNO2/c1-6-12-8-13(9-15(18)14(12)7-2)17(20)11(3)19-16(4,5)10-21-17/h8-9,11,19-20H,6-7,10H2,1-5H3
InChIKeyHAYKKBYFNVEFFT-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.40
Rot. Bonds3

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

2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol (PubChem CID 118072893) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol
PubChem CID118072893
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCCc1cc(C2(O)OCC(C)(C)NC2C)cc(Cl)c1CC
InChIInChI=1S/C17H26ClNO2/c1-6-12-8-13(9-15(18)14(12)7-2)17(20)11(3)19-16(4,5)10-21-17/h8-9,11,19-20H,6-7,10H2,1-5H3
InChIKeyHAYKKBYFNVEFFT-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.40
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-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The IUPAC name of 2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol (CID 118072893) is 2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol.
What is the SMILES notation for 2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The canonical SMILES for 2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol is CCc1cc(C2(O)OCC(C)(C)NC2C)cc(Cl)c1CC.
What is the InChIKey of 2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
The InChIKey is HAYKKBYFNVEFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-6-12-8-13(9-15(18)14(12)7-2)17(20)11(3)19-16(4,5)10-21-17/h8-9,11,19-20H,6-7,10H2,1-5H3.
What are the key properties of 2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol?
2-(3-chloro-4,5-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol has a molecular weight of 311.85 g/mol, XLogP of 3.40, 3 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-diethylphenyl)-3,5,5-trimethylmorpholin-2-ol is sourced from PubChem (CID 118072893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).