9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

C21H20FNO2 — CID 84612231

IUPAC9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESCC1CCCc2c1n(Cc1ccc(F)cc1)c1ccc(C(=O)O)cc21
InChIInChI=1S/C21H20FNO2/c1-13-3-2-4-17-18-11-15(21(24)25)7-10-19(18)23(20(13)17)12-14-5-8-16(22)9-6-14/h5-11,13H,2-4,12H2,1H3,(H,24,25)
InChIKeyHEJGRMBQWGWMOD-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.97
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid

9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (PubChem CID 84612231) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
PubChem CID84612231
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
SMILESCC1CCCc2c1n(Cc1ccc(F)cc1)c1ccc(C(=O)O)cc21
InChIInChI=1S/C21H20FNO2/c1-13-3-2-4-17-18-11-15(21(24)25)7-10-19(18)23(20(13)17)12-14-5-8-16(22)9-6-14/h5-11,13H,2-4,12H2,1H3,(H,24,25)
InChIKeyHEJGRMBQWGWMOD-UHFFFAOYSA-N
XLogP4.97
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]propanoate
CID 23043096
2-[6-bromo-9-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]butanoic acid
CID 67866802
2-[6,8-difluoro-9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372514
9-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612310
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
1-[(4-fluorophenyl)methyl]-2-[(2S)-1-propanoylpyrrolidin-2-yl]benzimidazole-5-carboxylic acid
CID 11921875
2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11674685
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
1-[(4-fluorophenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-4-carboxylic acid
CID 67519958
6-methyl-9-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612353
1-aza-4-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene-12-carboxylic acid
CID 3297145

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid (CID 84612231) is 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is CC1CCCc2c1n(Cc1ccc(F)cc1)c1ccc(C(=O)O)cc21.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
The InChIKey is HEJGRMBQWGWMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-13-3-2-4-17-18-11-15(21(24)25)7-10-19(18)23(20(13)17)12-14-5-8-16(22)9-6-14/h5-11,13H,2-4,12H2,1H3,(H,24,25).
What are the key properties of 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid?
9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid has a molecular weight of 337.39 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid is sourced from PubChem (CID 84612231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).