1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C25H29BrN2O3 — CID 11712805

IUPAC1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1)CN1CCOCC1
InChIInChI=1S/C25H29BrN2O3/c26-18-6-9-24-23(14-18)22-3-1-2-21(25(22)27-24)17-4-7-20(8-5-17)31-16-19(29)15-28-10-12-30-13-11-28/h4-9,14,19,21,27,29H,1-3,10-13,15-16H2
InChIKeyAOUZASFJKVWYNB-UHFFFAOYSA-N
MW485.42 g/mol
LogP4.47
Rot. Bonds6

About 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol

1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 11712805) has the molecular formula C25H29BrN2O3 and a molecular weight of 485.42 g/mol. Its IUPAC name is 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID11712805
Molecular FormulaC25H29BrN2O3
Molecular Weight485.42 g/mol
Exact Mass484.14
IUPAC Name1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESOC(COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1)CN1CCOCC1
InChIInChI=1S/C25H29BrN2O3/c26-18-6-9-24-23(14-18)22-3-1-2-21(25(22)27-24)17-4-7-20(8-5-17)31-16-19(29)15-28-10-12-30-13-11-28/h4-9,14,19,21,27,29H,1-3,10-13,15-16H2
InChIKeyAOUZASFJKVWYNB-UHFFFAOYSA-N
XLogP4.47
TPSA57.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 11712805) is 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is OC(COc1ccc(C2CCCc3c2[nH]c2ccc(Br)cc32)cc1)CN1CCOCC1.
What is the InChIKey of 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is AOUZASFJKVWYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN2O3/c26-18-6-9-24-23(14-18)22-3-1-2-21(25(22)27-24)17-4-7-20(8-5-17)31-16-19(29)15-28-10-12-30-13-11-28/h4-9,14,19,21,27,29H,1-3,10-13,15-16H2.
What are the key properties of 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 485.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 11712805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).