[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate

C18H14FNO4 — CID 69485115

IUPAC[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCC(=O)Oc1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)cc12
InChIInChI=1S/C18H14FNO4/c1-10-17(24-11(2)21)15-9-14(22)6-7-16(15)20(10)18(23)12-4-3-5-13(19)8-12/h3-9,22H,1-2H3
InChIKeyNENCTSYRJOEHPQ-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.41
Rot. Bonds2

About [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate

[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate (PubChem CID 69485115) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate.

Molecular Properties

Compound Name[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
PubChem CID69485115
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate
SMILESCC(=O)Oc1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)cc12
InChIInChI=1S/C18H14FNO4/c1-10-17(24-11(2)21)15-9-14(22)6-7-16(15)20(10)18(23)12-4-3-5-13(19)8-12/h3-9,22H,1-2H3
InChIKeyNENCTSYRJOEHPQ-UHFFFAOYSA-N
XLogP3.41
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
CID 173442022
(2R)-2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanoic acid
CID 69485526
2-[1-(2,6-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 71419570
methyl 2-[1-(3,4-difluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91513909
2-[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetaldehyde
CID 87854993
(1-acetyl-2-methylindol-3-yl) acetate
CID 15565752
[1-[5-(difluoromethyl)thiophene-2-carbonyl]-6-fluoro-5-hydroxy-2-methylindol-3-yl] acetate
CID 151228627
(3S)-2-[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-3-methylpentanoic acid
CID 69488206
ethyl 2-[4,6-difluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 91084990
(2S)-2-[1-(4-chloro-3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]propanamide
CID 69488919
[4-tert-butyl-1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate;2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid;2-[1-(3-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-2-cyclobutylacetic acid
CID 87895876
5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one
CID 110721681

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
The IUPAC name of [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate (CID 69485115) is [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate.
What is the SMILES notation for [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
The canonical SMILES for [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate is CC(=O)Oc1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)cc12.
What is the InChIKey of [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
The InChIKey is NENCTSYRJOEHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-10-17(24-11(2)21)15-9-14(22)6-7-16(15)20(10)18(23)12-4-3-5-13(19)8-12/h3-9,22H,1-2H3.
What are the key properties of [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate?
[1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate has a molecular weight of 327.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl] acetate is sourced from PubChem (CID 69485115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).