1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C22H26N2O3 — CID 11971038

IUPAC1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCc1c(-c2ccc(OCC(O)CN3CCOCC3)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O3/c1-16-20-4-2-3-5-21(20)23-22(16)17-6-8-19(9-7-17)27-15-18(25)14-24-10-12-26-13-11-24/h2-9,18,23,25H,10-15H2,1H3
InChIKeyUFLFWAVJSQOWDG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.22
Rot. Bonds6

About 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 11971038) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID11971038
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCc1c(-c2ccc(OCC(O)CN3CCOCC3)cc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2O3/c1-16-20-4-2-3-5-21(20)23-22(16)17-6-8-19(9-7-17)27-15-18(25)14-24-10-12-26-13-11-24/h2-9,18,23,25H,10-15H2,1H3
InChIKeyUFLFWAVJSQOWDG-UHFFFAOYSA-N
XLogP3.22
TPSA57.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 11971038) is 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is Cc1c(-c2ccc(OCC(O)CN3CCOCC3)cc2)[nH]c2ccccc12.
What is the InChIKey of 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is UFLFWAVJSQOWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-20-4-2-3-5-21(20)23-22(16)17-6-8-19(9-7-17)27-15-18(25)14-24-10-12-26-13-11-24/h2-9,18,23,25H,10-15H2,1H3.
What are the key properties of 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 366.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1H-indol-2-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 11971038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).