ethane;9-(5-fluoro-2-methoxyphenyl)carbazole

C21H20FNO — CID 144565346

IUPACethane;9-(5-fluoro-2-methoxyphenyl)carbazole
SMILESCC.COc1ccc(F)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H14FNO.C2H6/c1-22-19-11-10-13(20)12-18(19)21-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21;1-2/h2-12H,1H3;1-2H3
InChIKeyGRCZCSAYMIBMQI-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.96
Rot. Bonds2

About ethane;9-(5-fluoro-2-methoxyphenyl)carbazole

ethane;9-(5-fluoro-2-methoxyphenyl)carbazole (PubChem CID 144565346) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is ethane;9-(5-fluoro-2-methoxyphenyl)carbazole.

Molecular Properties

Compound Nameethane;9-(5-fluoro-2-methoxyphenyl)carbazole
PubChem CID144565346
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Nameethane;9-(5-fluoro-2-methoxyphenyl)carbazole
SMILESCC.COc1ccc(F)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C19H14FNO.C2H6/c1-22-19-11-10-13(20)12-18(19)21-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21;1-2/h2-12H,1H3;1-2H3
InChIKeyGRCZCSAYMIBMQI-UHFFFAOYSA-N
XLogP5.96
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;9-(5-fluoro-2-methoxyphenyl)carbazole?
The IUPAC name of ethane;9-(5-fluoro-2-methoxyphenyl)carbazole (CID 144565346) is ethane;9-(5-fluoro-2-methoxyphenyl)carbazole.
What is the SMILES notation for ethane;9-(5-fluoro-2-methoxyphenyl)carbazole?
The canonical SMILES for ethane;9-(5-fluoro-2-methoxyphenyl)carbazole is CC.COc1ccc(F)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of ethane;9-(5-fluoro-2-methoxyphenyl)carbazole?
The InChIKey is GRCZCSAYMIBMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO.C2H6/c1-22-19-11-10-13(20)12-18(19)21-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21;1-2/h2-12H,1H3;1-2H3.
What are the key properties of ethane;9-(5-fluoro-2-methoxyphenyl)carbazole?
ethane;9-(5-fluoro-2-methoxyphenyl)carbazole has a molecular weight of 321.40 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(5-fluoro-2-methoxyphenyl)carbazole is sourced from PubChem (CID 144565346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).