(6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine

C21H18FNO — CID 134956719

IUPAC(6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine
SMILESCOc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)Nc1ccccc1-2
InChIInChI=1S/C21H18FNO/c1-24-16-10-11-17-18-4-2-3-5-20(18)23-21(19(17)13-16)12-14-6-8-15(22)9-7-14/h2-11,13,21,23H,12H2,1H3/t21-/m1/s1
InChIKeyUYPRJAXBUVNTFL-OAQYLSRUSA-N
MW319.38 g/mol
LogP5.21
Rot. Bonds3

About (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine

(6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine (PubChem CID 134956719) has the molecular formula C21H18FNO and a molecular weight of 319.38 g/mol. Its IUPAC name is (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine.

Molecular Properties

Compound Name(6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine
PubChem CID134956719
Molecular FormulaC21H18FNO
Molecular Weight319.38 g/mol
Exact Mass319.14
IUPAC Name(6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine
SMILESCOc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)Nc1ccccc1-2
InChIInChI=1S/C21H18FNO/c1-24-16-10-11-17-18-4-2-3-5-20(18)23-21(19(17)13-16)12-14-6-8-15(22)9-7-14/h2-11,13,21,23H,12H2,1H3/t21-/m1/s1
InChIKeyUYPRJAXBUVNTFL-OAQYLSRUSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine?
The IUPAC name of (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine (CID 134956719) is (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine.
What is the SMILES notation for (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine?
The canonical SMILES for (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine is COc1ccc2c(c1)[C@@H](Cc1ccc(F)cc1)Nc1ccccc1-2.
What is the InChIKey of (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine?
The InChIKey is UYPRJAXBUVNTFL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18FNO/c1-24-16-10-11-17-18-4-2-3-5-20(18)23-21(19(17)13-16)12-14-6-8-15(22)9-7-14/h2-11,13,21,23H,12H2,1H3/t21-/m1/s1.
What are the key properties of (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine?
(6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine has a molecular weight of 319.38 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4-fluorophenyl)methyl]-8-methoxy-5,6-dihydrophenanthridine is sourced from PubChem (CID 134956719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).