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

C19H22ClNO2 — CID 134103594

IUPAC3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO2.ClH/c21-19(10-11-20-12-14-22-15-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16;/h1-9H,10-15H2;1H
InChIKeyBPXRSSNEYQCGOE-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.68
Rot. Bonds5

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

3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride (PubChem CID 134103594) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride
PubChem CID134103594
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO2.ClH/c21-19(10-11-20-12-14-22-15-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16;/h1-9H,10-15H2;1H
InChIKeyBPXRSSNEYQCGOE-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride (CID 134103594) is 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride is Cl.O=C(CCN1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
The InChIKey is BPXRSSNEYQCGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c21-19(10-11-20-12-14-22-15-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16;/h1-9H,10-15H2;1H.
What are the key properties of 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride?
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 134103594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).