1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol

C28H26N2O4 — CID 72711612

IUPAC1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol
SMILESCOc1ccccc1Oc1ccccc1NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C28H26N2O4/c1-32-25-14-6-7-15-26(25)34-24-13-5-4-11-22(24)29-17-19(31)18-33-27-16-8-12-23-28(27)20-9-2-3-10-21(20)30-23/h2-16,19,29-31H,17-18H2,1H3
InChIKeyQKZRGGLHRPTRBL-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.97
Rot. Bonds9

About 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol (PubChem CID 72711612) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol
PubChem CID72711612
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol
SMILESCOc1ccccc1Oc1ccccc1NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C28H26N2O4/c1-32-25-14-6-7-15-26(25)34-24-13-5-4-11-22(24)29-17-19(31)18-33-27-16-8-12-23-28(27)20-9-2-3-10-21(20)30-23/h2-16,19,29-31H,17-18H2,1H3
InChIKeyQKZRGGLHRPTRBL-UHFFFAOYSA-N
XLogP5.97
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol (CID 72711612) is 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol is COc1ccccc1Oc1ccccc1NCC(O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol?
The InChIKey is QKZRGGLHRPTRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-32-25-14-6-7-15-26(25)34-24-13-5-4-11-22(24)29-17-19(31)18-33-27-16-8-12-23-28(27)20-9-2-3-10-21(20)30-23/h2-16,19,29-31H,17-18H2,1H3.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol has a molecular weight of 454.53 g/mol, XLogP of 5.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)anilino]propan-2-ol is sourced from PubChem (CID 72711612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).