ethyl (6-methylphenanthridin-8-yl) carbonate

C17H15NO3 — CID 131861123

IUPACethyl (6-methylphenanthridin-8-yl) carbonate
SMILESCCOC(=O)Oc1ccc2c(c1)c(C)nc1ccccc12
InChIInChI=1S/C17H15NO3/c1-3-20-17(19)21-12-8-9-13-14-6-4-5-7-16(14)18-11(2)15(13)10-12/h4-10H,3H2,1-2H3
InChIKeyGLRHZFJBURXXCI-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.23
Rot. Bonds2

About ethyl (6-methylphenanthridin-8-yl) carbonate

ethyl (6-methylphenanthridin-8-yl) carbonate (PubChem CID 131861123) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl (6-methylphenanthridin-8-yl) carbonate.

Molecular Properties

Compound Nameethyl (6-methylphenanthridin-8-yl) carbonate
PubChem CID131861123
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl (6-methylphenanthridin-8-yl) carbonate
SMILESCCOC(=O)Oc1ccc2c(c1)c(C)nc1ccccc12
InChIInChI=1S/C17H15NO3/c1-3-20-17(19)21-12-8-9-13-14-6-4-5-7-16(14)18-11(2)15(13)10-12/h4-10H,3H2,1-2H3
InChIKeyGLRHZFJBURXXCI-UHFFFAOYSA-N
XLogP4.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
ethane;ethyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
CID 155782315
6-methyl-N-propylphenanthridin-8-amine
CID 102572857
(2-methylquinolin-3-yl) hydrogen carbonate
CID 70380848
ethyl 4-[(4-methylquinazolin-2-yl)methoxy]benzoate
CID 112816009
4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
(4-ethoxycarbonyloxy-2,3-dimethoxynaphthalen-1-yl) ethyl carbonate
CID 14302873
triphenylen-2-yl acetate;hydrochloride
CID 142787711
ethyl 2-cyano-3-(9-methoxyphenanthridin-6-yl)-2-methylpropanoate
CID 175302661
[4-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazine-1-carbonyl]phenyl] ethyl carbonate
CID 108929563
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665

Frequently Asked Questions

What is the IUPAC name of ethyl (6-methylphenanthridin-8-yl) carbonate?
The IUPAC name of ethyl (6-methylphenanthridin-8-yl) carbonate (CID 131861123) is ethyl (6-methylphenanthridin-8-yl) carbonate.
What is the SMILES notation for ethyl (6-methylphenanthridin-8-yl) carbonate?
The canonical SMILES for ethyl (6-methylphenanthridin-8-yl) carbonate is CCOC(=O)Oc1ccc2c(c1)c(C)nc1ccccc12.
What is the InChIKey of ethyl (6-methylphenanthridin-8-yl) carbonate?
The InChIKey is GLRHZFJBURXXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-3-20-17(19)21-12-8-9-13-14-6-4-5-7-16(14)18-11(2)15(13)10-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl (6-methylphenanthridin-8-yl) carbonate?
ethyl (6-methylphenanthridin-8-yl) carbonate has a molecular weight of 281.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6-methylphenanthridin-8-yl) carbonate is sourced from PubChem (CID 131861123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).