9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole

C19H21NO3 — CID 71350594

IUPAC9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole
SMILESCOCC(Cn1c2ccccc2c2ccccc21)OCC1CO1
InChIInChI=1S/C19H21NO3/c1-21-11-14(22-12-15-13-23-15)10-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15H,10-13H2,1H3
InChIKeyACUKEDUPDYMNHY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.22
Rot. Bonds7

About 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole

9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole (PubChem CID 71350594) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole.

Molecular Properties

Compound Name9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole
PubChem CID71350594
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole
SMILESCOCC(Cn1c2ccccc2c2ccccc21)OCC1CO1
InChIInChI=1S/C19H21NO3/c1-21-11-14(22-12-15-13-23-15)10-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15H,10-13H2,1H3
InChIKeyACUKEDUPDYMNHY-UHFFFAOYSA-N
XLogP3.22
TPSA35.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole?
The IUPAC name of 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole (CID 71350594) is 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole.
What is the SMILES notation for 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole?
The canonical SMILES for 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole is COCC(Cn1c2ccccc2c2ccccc21)OCC1CO1.
What is the InChIKey of 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole?
The InChIKey is ACUKEDUPDYMNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-21-11-14(22-12-15-13-23-15)10-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole?
9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole has a molecular weight of 311.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methoxy-2-(oxiran-2-ylmethoxy)propyl]carbazole is sourced from PubChem (CID 71350594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).