1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride

C26H29ClFNO3 — CID 146052061

IUPAC1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
SMILESCOc1ccccc1C(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C26H28FNO3.ClH/c1-30-25-10-6-5-9-23(25)26(29,21-11-13-22(27)14-12-21)24(20-7-3-2-4-8-20)19-28-15-17-31-18-16-28;/h2-14,24,29H,15-19H2,1H3;1H
InChIKeyOTLXLTYERCFWPU-UHFFFAOYSA-N
MW457.97 g/mol
LogP4.61
Rot. Bonds7

About 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride

1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride (PubChem CID 146052061) has the molecular formula C26H29ClFNO3 and a molecular weight of 457.97 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
PubChem CID146052061
Molecular FormulaC26H29ClFNO3
Molecular Weight457.97 g/mol
Exact Mass457.18
IUPAC Name1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
SMILESCOc1ccccc1C(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C26H28FNO3.ClH/c1-30-25-10-6-5-9-23(25)26(29,21-11-13-22(27)14-12-21)24(20-7-3-2-4-8-20)19-28-15-17-31-18-16-28;/h2-14,24,29H,15-19H2,1H3;1H
InChIKeyOTLXLTYERCFWPU-UHFFFAOYSA-N
XLogP4.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.97
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
CID 45106438
1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 23605680
(1R,2S)-1-(2-methoxyphenyl)-1-[4-(3-methylbutoxy)phenyl]-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 34568197
2-(4-chlorophenyl)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 23606863
(1R,2S)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 29184655
3-morpholin-4-yl-1,1,2-triphenylpropan-1-ol
CID 6620503
(1S,2S)-1-(4-methylphenyl)-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 28949289
(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
CID 92701916

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride (CID 146052061) is 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride is COc1ccccc1C(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The InChIKey is OTLXLTYERCFWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO3.ClH/c1-30-25-10-6-5-9-23(25)26(29,21-11-13-22(27)14-12-21)24(20-7-3-2-4-8-20)19-28-15-17-31-18-16-28;/h2-14,24,29H,15-19H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride has a molecular weight of 457.97 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 146052061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).