9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine

C17H16FNO2 — CID 71037209

IUPAC9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine
SMILESCOc1ccc2c(c1)nc(OC(C)C)c1ccc(F)cc12
InChIInChI=1S/C17H16FNO2/c1-10(2)21-17-14-6-4-11(18)8-15(14)13-7-5-12(20-3)9-16(13)19-17/h4-10H,1-3H3
InChIKeyLGCSUAUEMYVJMT-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.32
Rot. Bonds3

About 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine

9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine (PubChem CID 71037209) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine.

Molecular Properties

Compound Name9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine
PubChem CID71037209
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine
SMILESCOc1ccc2c(c1)nc(OC(C)C)c1ccc(F)cc12
InChIInChI=1S/C17H16FNO2/c1-10(2)21-17-14-6-4-11(18)8-15(14)13-7-5-12(20-3)9-16(13)19-17/h4-10H,1-3H3
InChIKeyLGCSUAUEMYVJMT-UHFFFAOYSA-N
XLogP4.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine?
The IUPAC name of 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine (CID 71037209) is 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine.
What is the SMILES notation for 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine?
The canonical SMILES for 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine is COc1ccc2c(c1)nc(OC(C)C)c1ccc(F)cc12.
What is the InChIKey of 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine?
The InChIKey is LGCSUAUEMYVJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10(2)21-17-14-6-4-11(18)8-15(14)13-7-5-12(20-3)9-16(13)19-17/h4-10H,1-3H3.
What are the key properties of 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine?
9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine has a molecular weight of 285.32 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-methoxy-6-propan-2-yloxyphenanthridine is sourced from PubChem (CID 71037209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).