6-fluoro-3-octylphenanthridin-8-ol

C21H24FNO — CID 23295406

IUPAC6-fluoro-3-octylphenanthridin-8-ol
SMILESCCCCCCCCc1ccc2c(c1)nc(F)c1cc(O)ccc12
InChIInChI=1S/C21H24FNO/c1-2-3-4-5-6-7-8-15-9-11-18-17-12-10-16(24)14-19(17)21(22)23-20(18)13-15/h9-14,24H,2-8H2,1H3
InChIKeyQOUSHQATAKJWBB-UHFFFAOYSA-N
MW325.43 g/mol
LogP6.14
Rot. Bonds7

About 6-fluoro-3-octylphenanthridin-8-ol

6-fluoro-3-octylphenanthridin-8-ol (PubChem CID 23295406) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-fluoro-3-octylphenanthridin-8-ol.

Molecular Properties

Compound Name6-fluoro-3-octylphenanthridin-8-ol
PubChem CID23295406
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name6-fluoro-3-octylphenanthridin-8-ol
SMILESCCCCCCCCc1ccc2c(c1)nc(F)c1cc(O)ccc12
InChIInChI=1S/C21H24FNO/c1-2-3-4-5-6-7-8-15-9-11-18-17-12-10-16(24)14-19(17)21(22)23-20(18)13-15/h9-14,24H,2-8H2,1H3
InChIKeyQOUSHQATAKJWBB-UHFFFAOYSA-N
XLogP6.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-(4-methylphenyl)-8-octylphenanthridine
CID 54030268
6,15-dihexylpentacyclo[10.6.0.03,10.04,9.013,18]octadeca-1,3(10),4(9),5,7,11,13(18),14,16-nonaene
CID 162784810
3-hexylacridine
CID 21394642
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
6-octylnaphthalen-2-ol;trifluoromethanesulfonic acid
CID 88501838
benzene-1,3-diol;4-dodecylphenol
CID 159325714
benzene-1,3-diol;4-nonylphenol
CID 159380657
3-hentriacontylphenol
CID 101292722
3-octacosylphenol
CID 101292719
4-(6-pentylquinolin-2-yl)phenol
CID 135525498

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-octylphenanthridin-8-ol?
The IUPAC name of 6-fluoro-3-octylphenanthridin-8-ol (CID 23295406) is 6-fluoro-3-octylphenanthridin-8-ol.
What is the SMILES notation for 6-fluoro-3-octylphenanthridin-8-ol?
The canonical SMILES for 6-fluoro-3-octylphenanthridin-8-ol is CCCCCCCCc1ccc2c(c1)nc(F)c1cc(O)ccc12.
What is the InChIKey of 6-fluoro-3-octylphenanthridin-8-ol?
The InChIKey is QOUSHQATAKJWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-2-3-4-5-6-7-8-15-9-11-18-17-12-10-16(24)14-19(17)21(22)23-20(18)13-15/h9-14,24H,2-8H2,1H3.
What are the key properties of 6-fluoro-3-octylphenanthridin-8-ol?
6-fluoro-3-octylphenanthridin-8-ol has a molecular weight of 325.43 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-octylphenanthridin-8-ol is sourced from PubChem (CID 23295406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).