3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol

C24H26N2O5 — CID 46781859

IUPAC3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol
SMILES[2H]C([2H])(NCCOc1cc(O)ccc1OC)C([2H])(O)C([2H])([2H])Oc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3/i14D2,15D2,17D
InChIKeyPVUVZUBTCLBJMT-SUPLBRQZSA-N
MW427.51 g/mol
LogP3.44
Rot. Bonds10

About 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol

3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol (PubChem CID 46781859) has the molecular formula C24H26N2O5 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol.

Molecular Properties

Compound Name3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol
PubChem CID46781859
Molecular FormulaC24H26N2O5
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol
SMILES[2H]C([2H])(NCCOc1cc(O)ccc1OC)C([2H])(O)C([2H])([2H])Oc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3/i14D2,15D2,17D
InChIKeyPVUVZUBTCLBJMT-SUPLBRQZSA-N
XLogP3.44
TPSA95.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol?
The IUPAC name of 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol (CID 46781859) is 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol.
What is the SMILES notation for 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol?
The canonical SMILES for 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol is [2H]C([2H])(NCCOc1cc(O)ccc1OC)C([2H])(O)C([2H])([2H])Oc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol?
The InChIKey is PVUVZUBTCLBJMT-SUPLBRQZSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-29-21-10-9-16(27)13-23(21)30-12-11-25-14-17(28)15-31-22-8-4-7-20-24(22)18-5-2-3-6-19(18)26-20/h2-10,13,17,25-28H,11-12,14-15H2,1H3/i14D2,15D2,17D.
What are the key properties of 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol?
3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol has a molecular weight of 427.51 g/mol, XLogP of 3.44, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[3-(9H-carbazol-4-yloxy)-1,1,2,3,3-pentadeuterio-2-hydroxypropyl]amino]ethoxy]-4-methoxyphenol is sourced from PubChem (CID 46781859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).