methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate

C24H20FNO3 — CID 69097105

IUPACmethyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
SMILESCOC(=O)c1cc(F)cc(Cc2c(-c3ccccc3)[nH]c3cc(OC)ccc23)c1
InChIInChI=1S/C24H20FNO3/c1-28-19-8-9-20-21(12-15-10-17(24(27)29-2)13-18(25)11-15)23(26-22(20)14-19)16-6-4-3-5-7-16/h3-11,13-14,26H,12H2,1-2H3
InChIKeyGWVREILJXJYNKT-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.36
Rot. Bonds5

About methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate

methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate (PubChem CID 69097105) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
PubChem CID69097105
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Namemethyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
SMILESCOC(=O)c1cc(F)cc(Cc2c(-c3ccccc3)[nH]c3cc(OC)ccc23)c1
InChIInChI=1S/C24H20FNO3/c1-28-19-8-9-20-21(12-15-10-17(24(27)29-2)13-18(25)11-15)23(26-22(20)14-19)16-6-4-3-5-7-16/h3-11,13-14,26H,12H2,1-2H3
InChIKeyGWVREILJXJYNKT-UHFFFAOYSA-N
XLogP5.36
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate with MolForge

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Related Compounds

6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
6-[[2-(3-fluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]-1,2-dihydropyridine-2-carboxylic acid
CID 90378902
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304
methyl 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-indole-6-carboxylate
CID 59549050
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole
CID 90359445
1-[4-(3-benzyl-1H-indol-2-yl)phenyl]ethanone
CID 101026071

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate?
The IUPAC name of methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate (CID 69097105) is methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate?
The canonical SMILES for methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate is COC(=O)c1cc(F)cc(Cc2c(-c3ccccc3)[nH]c3cc(OC)ccc23)c1.
What is the InChIKey of methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate?
The InChIKey is GWVREILJXJYNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-28-19-8-9-20-21(12-15-10-17(24(27)29-2)13-18(25)11-15)23(26-22(20)14-19)16-6-4-3-5-7-16/h3-11,13-14,26H,12H2,1-2H3.
What are the key properties of methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate?
methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate has a molecular weight of 389.43 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate is sourced from PubChem (CID 69097105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).