(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

C22H29NO4 — CID 157064846

IUPAC(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(CCc2ccccc2OC[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C22H29NO4/c1-25-21-10-7-18(8-11-21)6-9-19-4-2-3-5-22(19)27-17-20(24)16-23-12-14-26-15-13-23/h2-5,7-8,10-11,20,24H,6,9,12-17H2,1H3/t20-/m1/s1
InChIKeyGAJVIANSKWARKM-HXUWFJFHSA-N
MW371.48 g/mol
LogP2.55
Rot. Bonds9

About (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 157064846) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID157064846
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1ccc(CCc2ccccc2OC[C@H](O)CN2CCOCC2)cc1
InChIInChI=1S/C22H29NO4/c1-25-21-10-7-18(8-11-21)6-9-19-4-2-3-5-22(19)27-17-20(24)16-23-12-14-26-15-13-23/h2-5,7-8,10-11,20,24H,6,9,12-17H2,1H3/t20-/m1/s1
InChIKeyGAJVIANSKWARKM-HXUWFJFHSA-N
XLogP2.55
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 158523220
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
CID 159443528
1-[2-[4-(4-methoxyphenyl)butyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 19423948
3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol
CID 146438414
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 6602951
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
CID 167610918
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]-3-phenylpropan-1-one
CID 73349685
1-[2-(azetidin-1-ylmethyl)-6-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72845119

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 157064846) is (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is COc1ccc(CCc2ccccc2OC[C@H](O)CN2CCOCC2)cc1.
What is the InChIKey of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GAJVIANSKWARKM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29NO4/c1-25-21-10-7-18(8-11-21)6-9-19-4-2-3-5-22(19)27-17-20(24)16-23-12-14-26-15-13-23/h2-5,7-8,10-11,20,24H,6,9,12-17H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 371.48 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 157064846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).