methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate

C21H16FNO3 — CID 22738295

IUPACmethyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C21H16FNO3/c1-26-21(25)15-7-3-8-16-19(15)20-17(9-4-10-18(20)24)23(16)12-13-5-2-6-14(22)11-13/h2-11,24H,12H2,1H3
InChIKeyGGSHGRAQDSJBOY-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.47
Rot. Bonds3

About methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate

methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate (PubChem CID 22738295) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
PubChem CID22738295
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Namemethyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(F)c1
InChIInChI=1S/C21H16FNO3/c1-26-21(25)15-7-3-8-16-19(15)20-17(9-4-10-18(20)24)23(16)12-13-5-2-6-14(22)11-13/h2-11,24H,12H2,1H3
InChIKeyGGSHGRAQDSJBOY-UHFFFAOYSA-N
XLogP4.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
methyl 7-ethyl-9-[(2-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate
CID 22738994
methyl 5-hydroxy-9-[(2-phenylphenyl)methyl]carbazole-4-carboxylate
CID 22738163
methyl 9-[(3-bromophenyl)methyl]-5-hydroxy-7-pentylcarbazole-4-carboxylate
CID 22740421
methyl 9-benzyl-6,7-diethyl-5-hydroxycarbazole-4-carboxylate
CID 142148686
2-[5-carbamoyl-9-[(3-fluorophenyl)methyl]carbazol-4-yl]-2-oxoacetic acid
CID 54135436
methyl 7-ethyl-5-hydroxy-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxylate
CID 22739554
3-[9-[(3-fluorophenyl)methyl]-7-methylcarbazol-4-yl]-3-oxopropanamide
CID 174639472
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
7-ethyl-5-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 22738225
9-benzyl-6-fluorocarbazol-4-ol
CID 18671696
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371

Frequently Asked Questions

What is the IUPAC name of methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
The IUPAC name of methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate (CID 22738295) is methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate.
What is the SMILES notation for methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
The canonical SMILES for methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate is COC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(F)c1.
What is the InChIKey of methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
The InChIKey is GGSHGRAQDSJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c1-26-21(25)15-7-3-8-16-19(15)20-17(9-4-10-18(20)24)23(16)12-13-5-2-6-14(22)11-13/h2-11,24H,12H2,1H3.
What are the key properties of methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate?
methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate has a molecular weight of 349.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxylate is sourced from PubChem (CID 22738295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).