1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol

C25H26N2O2 — CID 46703774

IUPAC1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol
SMILESCOc1ccc(C2(O)CN(CCCn3c4ccccc4c4ccccc43)C2)cc1
InChIInChI=1S/C25H26N2O2/c1-29-20-13-11-19(12-14-20)25(28)17-26(18-25)15-6-16-27-23-9-4-2-7-21(23)22-8-3-5-10-24(22)27/h2-5,7-14,28H,6,15-18H2,1H3
InChIKeyZEEUOUGBWYNJPV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.40
Rot. Bonds6

About 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol

1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol (PubChem CID 46703774) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol
PubChem CID46703774
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol
SMILESCOc1ccc(C2(O)CN(CCCn3c4ccccc4c4ccccc43)C2)cc1
InChIInChI=1S/C25H26N2O2/c1-29-20-13-11-19(12-14-20)25(28)17-26(18-25)15-6-16-27-23-9-4-2-7-21(23)22-8-3-5-10-24(22)27/h2-5,7-14,28H,6,15-18H2,1H3
InChIKeyZEEUOUGBWYNJPV-UHFFFAOYSA-N
XLogP4.40
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol?
The IUPAC name of 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol (CID 46703774) is 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol.
What is the SMILES notation for 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol?
The canonical SMILES for 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol is COc1ccc(C2(O)CN(CCCn3c4ccccc4c4ccccc43)C2)cc1.
What is the InChIKey of 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol?
The InChIKey is ZEEUOUGBWYNJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-29-20-13-11-19(12-14-20)25(28)17-26(18-25)15-6-16-27-23-9-4-2-7-21(23)22-8-3-5-10-24(22)27/h2-5,7-14,28H,6,15-18H2,1H3.
What are the key properties of 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol?
1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol has a molecular weight of 386.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbazol-9-ylpropyl)-3-(4-methoxyphenyl)azetidin-3-ol is sourced from PubChem (CID 46703774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).