3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride

C18H28ClNO3 — CID 23724387

IUPAC3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride
SMILESCCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-2-3-4-13-22-17-7-5-16(6-8-17)18(20)9-10-19-11-14-21-15-12-19;/h5-8H,2-4,9-15H2,1H3;1H
InChIKeyOKCWYYOUWIBKLS-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.58
Rot. Bonds9

About 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride

3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride (PubChem CID 23724387) has the molecular formula C18H28ClNO3 and a molecular weight of 341.88 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride
PubChem CID23724387
Molecular FormulaC18H28ClNO3
Molecular Weight341.88 g/mol
Exact Mass341.18
IUPAC Name3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride
SMILESCCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-2-3-4-13-22-17-7-5-16(6-8-17)18(20)9-10-19-11-14-21-15-12-19;/h5-8H,2-4,9-15H2,1H3;1H
InChIKeyOKCWYYOUWIBKLS-UHFFFAOYSA-N
XLogP3.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride (CID 23724387) is 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride is CCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1.Cl.
What is the InChIKey of 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is OKCWYYOUWIBKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3.ClH/c1-2-3-4-13-22-17-7-5-16(6-8-17)18(20)9-10-19-11-14-21-15-12-19;/h5-8H,2-4,9-15H2,1H3;1H.
What are the key properties of 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride?
3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(4-pentoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 23724387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).