1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol

C16H24ClNO2 — CID 62628976

IUPAC1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
SMILESCCC1COC(C)CN1CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-3-15-11-20-12(2)10-18(15)9-8-16(19)13-4-6-14(17)7-5-13/h4-7,12,15-16,19H,3,8-11H2,1-2H3
InChIKeyRQLJVOAHWAQBSR-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol

1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol (PubChem CID 62628976) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
PubChem CID62628976
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
SMILESCCC1COC(C)CN1CCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-3-15-11-20-12(2)10-18(15)9-8-16(19)13-4-6-14(17)7-5-13/h4-7,12,15-16,19H,3,8-11H2,1-2H3
InChIKeyRQLJVOAHWAQBSR-UHFFFAOYSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol (CID 62628976) is 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol is CCC1COC(C)CN1CCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol?
The InChIKey is RQLJVOAHWAQBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-15-11-20-12(2)10-18(15)9-8-16(19)13-4-6-14(17)7-5-13/h4-7,12,15-16,19H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol?
1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 62628976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).