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

C20H24ClNO3 — CID 2807057

IUPAC3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3.ClH/c22-20(10-11-21-12-14-23-15-13-21)18-6-8-19(9-7-18)24-16-17-4-2-1-3-5-17;/h1-9H,10-16H2;1H
InChIKeyBCQNHMYSGWMFNA-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.59
Rot. Bonds7

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

3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride (PubChem CID 2807057) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride
PubChem CID2807057
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCN1CCOCC1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO3.ClH/c22-20(10-11-21-12-14-23-15-13-21)18-6-8-19(9-7-18)24-16-17-4-2-1-3-5-17;/h1-9H,10-16H2;1H
InChIKeyBCQNHMYSGWMFNA-UHFFFAOYSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Pitofenone hydrochloride
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Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
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Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
Pitofenone
CID 121098
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Polysulfide rubber
CID 2856734

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride (CID 2807057) is 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride is Cl.O=C(CCN1CCOCC1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is BCQNHMYSGWMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.ClH/c22-20(10-11-21-12-14-23-15-13-21)18-6-8-19(9-7-18)24-16-17-4-2-1-3-5-17;/h1-9H,10-16H2;1H.
What are the key properties of 3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride?
3-morpholin-4-yl-1-(4-phenylmethoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 3.59, 7 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-phenylmethoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 2807057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).