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1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride

C29H34ClNO3 — CID 70604327

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride
SMILESCc1cc(C(=O)CC(c2ccccc2)c2ccccc2)cc(C)c1OCCN1CCOCC1.Cl
InChIInChI=1S/C29H33NO3.ClH/c1-22-19-26(20-23(2)29(22)33-18-15-30-13-16-32-17-14-30)28(31)21-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25;/h3-12,19-20,27H,13-18,21H2,1-2H3;1H
InChIKeyKPXMCBMMZHXYMF-UHFFFAOYSA-N
MW480.05 g/mol
LogP5.84
Rot. Bonds9

About 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride

1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride (PubChem CID 70604327) has the molecular formula C29H34ClNO3 and a molecular weight of 480.05 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride
PubChem CID70604327
Molecular FormulaC29H34ClNO3
Molecular Weight480.05 g/mol
Exact Mass479.22
IUPAC Name1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride
SMILESCc1cc(C(=O)CC(c2ccccc2)c2ccccc2)cc(C)c1OCCN1CCOCC1.Cl
InChIInChI=1S/C29H33NO3.ClH/c1-22-19-26(20-23(2)29(22)33-18-15-30-13-16-32-17-14-30)28(31)21-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25;/h3-12,19-20,27H,13-18,21H2,1-2H3;1H
InChIKeyKPXMCBMMZHXYMF-UHFFFAOYSA-N
XLogP5.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.05
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride?
The IUPAC name of 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride (CID 70604327) is 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride is Cc1cc(C(=O)CC(c2ccccc2)c2ccccc2)cc(C)c1OCCN1CCOCC1.Cl.
What is the InChIKey of 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride?
The InChIKey is KPXMCBMMZHXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO3.ClH/c1-22-19-26(20-23(2)29(22)33-18-15-30-13-16-32-17-14-30)28(31)21-27(24-9-5-3-6-10-24)25-11-7-4-8-12-25;/h3-12,19-20,27H,13-18,21H2,1-2H3;1H.
What are the key properties of 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride?
1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride has a molecular weight of 480.05 g/mol, XLogP of 5.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-3,3-diphenylpropan-1-one;hydrochloride is sourced from PubChem (CID 70604327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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