1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol

C25H32N2O5 — CID 515405

IUPAC1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol
SMILESOC(CN1CCOCC1)c1ccc2c(c1)Cc1cc(C(O)CN3CCOCC3)ccc1O2
InChIInChI=1S/C25H32N2O5/c28-22(16-26-5-9-30-10-6-26)18-1-3-24-20(13-18)15-21-14-19(2-4-25(21)32-24)23(29)17-27-7-11-31-12-8-27/h1-4,13-14,22-23,28-29H,5-12,15-17H2
InChIKeyCUEHJUIRMPOHCU-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.11
Rot. Bonds6

About 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol

1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol (PubChem CID 515405) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol
PubChem CID515405
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol
SMILESOC(CN1CCOCC1)c1ccc2c(c1)Cc1cc(C(O)CN3CCOCC3)ccc1O2
InChIInChI=1S/C25H32N2O5/c28-22(16-26-5-9-30-10-6-26)18-1-3-24-20(13-18)15-21-14-19(2-4-25(21)32-24)23(29)17-27-7-11-31-12-8-27/h1-4,13-14,22-23,28-29H,5-12,15-17H2
InChIKeyCUEHJUIRMPOHCU-UHFFFAOYSA-N
XLogP2.11
TPSA74.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol with MolForge

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol
CID 82477275
5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
CID 12556410
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
1-[6-(1-hydroxy-2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 46965271
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
CID 125445930
N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
CID 168654163
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136

Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol?
The IUPAC name of 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol (CID 515405) is 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol.
What is the SMILES notation for 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol?
The canonical SMILES for 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol is OC(CN1CCOCC1)c1ccc2c(c1)Cc1cc(C(O)CN3CCOCC3)ccc1O2.
What is the InChIKey of 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol?
The InChIKey is CUEHJUIRMPOHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c28-22(16-26-5-9-30-10-6-26)18-1-3-24-20(13-18)15-21-14-19(2-4-25(21)32-24)23(29)17-27-7-11-31-12-8-27/h1-4,13-14,22-23,28-29H,5-12,15-17H2.
What are the key properties of 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol?
1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol has a molecular weight of 440.54 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-hydroxy-2-morpholin-4-ylethyl)-9H-xanthen-2-yl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 515405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).