3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole

C22H18FNO — CID 151415976

IUPAC3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole
SMILESCc1ccccc1-c1[nH]c2ccc(OCc3ccccc3)cc2c1F
InChIInChI=1S/C22H18FNO/c1-15-7-5-6-10-18(15)22-21(23)19-13-17(11-12-20(19)24-22)25-14-16-8-3-2-4-9-16/h2-13,24H,14H2,1H3
InChIKeyOZNLUBXNCSDASK-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.86
Rot. Bonds4

About 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole

3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole (PubChem CID 151415976) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole
PubChem CID151415976
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole
SMILESCc1ccccc1-c1[nH]c2ccc(OCc3ccccc3)cc2c1F
InChIInChI=1S/C22H18FNO/c1-15-7-5-6-10-18(15)22-21(23)19-13-17(11-12-20(19)24-22)25-14-16-8-3-2-4-9-16/h2-13,24H,14H2,1H3
InChIKeyOZNLUBXNCSDASK-UHFFFAOYSA-N
XLogP5.86
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-5-phenylmethoxy-2-(2-phenylphenyl)-1H-indole
CID 155265615
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217
5-[2-(3,5-dimethylphenyl)-5-phenylmethoxy-1H-indol-3-yl]-4-ethylisoindole-1,3-dione
CID 67662643
9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione
CID 155200949
5,11-dimethyl-9-phenylmethoxy-2,6-dihydropyrido[4,3-b]carbazol-1-one
CID 46897130
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379
5-nitro-2-phenylmethoxy-10H-acridin-9-one
CID 54300610
3-methyl-5-phenylmethoxy-1H-indole;5-phenylmethoxy-1H-indene
CID 165040105
3-[[butyl(methyl)amino]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one
CID 2240325
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole?
The IUPAC name of 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole (CID 151415976) is 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole?
The canonical SMILES for 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole is Cc1ccccc1-c1[nH]c2ccc(OCc3ccccc3)cc2c1F.
What is the InChIKey of 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole?
The InChIKey is OZNLUBXNCSDASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c1-15-7-5-6-10-18(15)22-21(23)19-13-17(11-12-20(19)24-22)25-14-16-8-3-2-4-9-16/h2-13,24H,14H2,1H3.
What are the key properties of 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole?
3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole has a molecular weight of 331.39 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methylphenyl)-5-phenylmethoxy-1H-indole is sourced from PubChem (CID 151415976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).