1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride

C19H22ClNO3 — CID 68998757

IUPAC1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1.Cl
InChIInChI=1S/C19H21NO3.ClH/c1-14(21)15-4-6-18(7-5-15)23-19-10-8-17(9-11-19)22-13-16-3-2-12-20-16;/h4-11,16,20H,2-3,12-13H2,1H3;1H/t16-;/m1./s1
InChIKeyFSAVFBHJIGGARN-PKLMIRHRSA-N
MW347.84 g/mol
LogP4.23
Rot. Bonds6

About 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride

1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride (PubChem CID 68998757) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
PubChem CID68998757
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1.Cl
InChIInChI=1S/C19H21NO3.ClH/c1-14(21)15-4-6-18(7-5-15)23-19-10-8-17(9-11-19)22-13-16-3-2-12-20-16;/h4-11,16,20H,2-3,12-13H2,1H3;1H/t16-;/m1./s1
InChIKeyFSAVFBHJIGGARN-PKLMIRHRSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
(4-bromophenyl)-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 151594530
N-cyclopropyl-4-[[(2S)-pyrrolidin-2-yl]methoxy]benzamide
CID 95169854
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
1-[4-(2-pyrrolidin-2-ylethyl)phenyl]ethanone
CID 162399316
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
5-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]-1,3-oxazole;hydrochloride
CID 141172529

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride (CID 68998757) is 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride is CC(=O)c1ccc(Oc2ccc(OC[C@H]3CCCN3)cc2)cc1.Cl.
What is the InChIKey of 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride?
The InChIKey is FSAVFBHJIGGARN-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H21NO3.ClH/c1-14(21)15-4-6-18(7-5-15)23-19-10-8-17(9-11-19)22-13-16-3-2-12-20-16;/h4-11,16,20H,2-3,12-13H2,1H3;1H/t16-;/m1./s1.
What are the key properties of 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride?
1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 68998757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).