4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol

C26H29NO4 — CID 45106438

IUPAC4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
SMILESCOc1ccccc1C(O)(c1ccc(O)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29NO4/c1-30-25-10-6-5-9-23(25)26(29,21-11-13-22(28)14-12-21)24(20-7-3-2-4-8-20)19-27-15-17-31-18-16-27/h2-14,24,28-29H,15-19H2,1H3
InChIKeyOLNDADVWXAVDDV-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.75
Rot. Bonds7

About 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol

4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol (PubChem CID 45106438) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
PubChem CID45106438
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol
SMILESCOc1ccccc1C(O)(c1ccc(O)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C26H29NO4/c1-30-25-10-6-5-9-23(25)26(29,21-11-13-22(28)14-12-21)24(20-7-3-2-4-8-20)19-27-15-17-31-18-16-27/h2-14,24,28-29H,15-19H2,1H3
InChIKeyOLNDADVWXAVDDV-UHFFFAOYSA-N
XLogP3.75
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-1-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 28949408
1-(4-fluorophenyl)-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
CID 146052061
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
(1S,2R)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 28952661
(2R,3R)-3-(4-methoxyphenyl)-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 28949321
(2S,3S)-2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 28949170
2-(4-methoxyphenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol;hydrochloride
CID 146051967

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol?
The IUPAC name of 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol (CID 45106438) is 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol?
The canonical SMILES for 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol is COc1ccccc1C(O)(c1ccc(O)cc1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol?
The InChIKey is OLNDADVWXAVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-30-25-10-6-5-9-23(25)26(29,21-11-13-22(28)14-12-21)24(20-7-3-2-4-8-20)19-27-15-17-31-18-16-27/h2-14,24,28-29H,15-19H2,1H3.
What are the key properties of 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol?
4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol has a molecular weight of 419.52 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-1-(2-methoxyphenyl)-3-morpholin-4-yl-2-phenylpropyl]phenol is sourced from PubChem (CID 45106438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).