1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol

C30H30N2O4 — CID 54489309

IUPAC1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
SMILESOc1ccc(CC(O)CNCCOc2ccccc2OCc2ccccc2)c2[nH]c3ccccc3c12
InChIInChI=1S/C30H30N2O4/c33-23(18-22-14-15-26(34)29-24-10-4-5-11-25(24)32-30(22)29)19-31-16-17-35-27-12-6-7-13-28(27)36-20-21-8-2-1-3-9-21/h1-15,23,31-34H,16-20H2
InChIKeyXUPCQKIIXDOHSD-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.18
Rot. Bonds11

About 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol

1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol (PubChem CID 54489309) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
PubChem CID54489309
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
SMILESOc1ccc(CC(O)CNCCOc2ccccc2OCc2ccccc2)c2[nH]c3ccccc3c12
InChIInChI=1S/C30H30N2O4/c33-23(18-22-14-15-26(34)29-24-10-4-5-11-25(24)32-30(22)29)19-31-16-17-35-27-12-6-7-13-28(27)36-20-21-8-2-1-3-9-21/h1-15,23,31-34H,16-20H2
InChIKeyXUPCQKIIXDOHSD-UHFFFAOYSA-N
XLogP5.18
TPSA86.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
The IUPAC name of 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol (CID 54489309) is 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol.
What is the SMILES notation for 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
The canonical SMILES for 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol is Oc1ccc(CC(O)CNCCOc2ccccc2OCc2ccccc2)c2[nH]c3ccccc3c12.
What is the InChIKey of 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
The InChIKey is XUPCQKIIXDOHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c33-23(18-22-14-15-26(34)29-24-10-4-5-11-25(24)32-30(22)29)19-31-16-17-35-27-12-6-7-13-28(27)36-20-21-8-2-1-3-9-21/h1-15,23,31-34H,16-20H2.
What are the key properties of 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol?
1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol has a molecular weight of 482.58 g/mol, XLogP of 5.18, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol is sourced from PubChem (CID 54489309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).