6-propan-2-yloxyphenanthridine

C16H15NO — CID 71037197

IUPAC6-propan-2-yloxyphenanthridine
SMILESCC(C)Oc1nc2ccccc2c2ccccc12
InChIInChI=1S/C16H15NO/c1-11(2)18-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)17-16/h3-11H,1-2H3
InChIKeyFQXCKWORIPFVBB-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.18
Rot. Bonds2

About 6-propan-2-yloxyphenanthridine

6-propan-2-yloxyphenanthridine (PubChem CID 71037197) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-propan-2-yloxyphenanthridine.

Molecular Properties

Compound Name6-propan-2-yloxyphenanthridine
PubChem CID71037197
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name6-propan-2-yloxyphenanthridine
SMILESCC(C)Oc1nc2ccccc2c2ccccc12
InChIInChI=1S/C16H15NO/c1-11(2)18-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)17-16/h3-11H,1-2H3
InChIKeyFQXCKWORIPFVBB-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxyphenanthridine?
The IUPAC name of 6-propan-2-yloxyphenanthridine (CID 71037197) is 6-propan-2-yloxyphenanthridine.
What is the SMILES notation for 6-propan-2-yloxyphenanthridine?
The canonical SMILES for 6-propan-2-yloxyphenanthridine is CC(C)Oc1nc2ccccc2c2ccccc12.
What is the InChIKey of 6-propan-2-yloxyphenanthridine?
The InChIKey is FQXCKWORIPFVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11(2)18-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)17-16/h3-11H,1-2H3.
What are the key properties of 6-propan-2-yloxyphenanthridine?
6-propan-2-yloxyphenanthridine has a molecular weight of 237.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxyphenanthridine is sourced from PubChem (CID 71037197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).