8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol

C16H16N2O2 — CID 164598697

IUPAC8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol
SMILESCOc1ccc2c(c1)C1(CNC1)Nc1cc(O)ccc1-2
InChIInChI=1S/C16H16N2O2/c1-20-11-3-5-12-13-4-2-10(19)6-15(13)18-16(8-17-9-16)14(12)7-11/h2-7,17-19H,8-9H2,1H3
InChIKeySYYBNFNPAQJVLE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.29
Rot. Bonds1

About 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol

8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol (PubChem CID 164598697) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol.

Molecular Properties

Compound Name8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol
PubChem CID164598697
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol
SMILESCOc1ccc2c(c1)C1(CNC1)Nc1cc(O)ccc1-2
InChIInChI=1S/C16H16N2O2/c1-20-11-3-5-12-13-4-2-10(19)6-15(13)18-16(8-17-9-16)14(12)7-11/h2-7,17-19H,8-9H2,1H3
InChIKeySYYBNFNPAQJVLE-UHFFFAOYSA-N
XLogP2.29
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol?
The IUPAC name of 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol (CID 164598697) is 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol.
What is the SMILES notation for 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol?
The canonical SMILES for 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol is COc1ccc2c(c1)C1(CNC1)Nc1cc(O)ccc1-2.
What is the InChIKey of 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol?
The InChIKey is SYYBNFNPAQJVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-11-3-5-12-13-4-2-10(19)6-15(13)18-16(8-17-9-16)14(12)7-11/h2-7,17-19H,8-9H2,1H3.
What are the key properties of 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol?
8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol has a molecular weight of 268.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyspiro[5H-phenanthridine-6,3'-azetidine]-3-ol is sourced from PubChem (CID 164598697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).