4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole

C25H23F2NO — CID 156877587

IUPAC4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole
SMILESCc1cc(-n2c(C(C)C)cc3c(F)c(OCc4ccccc4)ccc32)ccc1F
InChIInChI=1S/C25H23F2NO/c1-16(2)23-14-20-22(28(23)19-9-10-21(26)17(3)13-19)11-12-24(25(20)27)29-15-18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3
InChIKeyOCFCATQEANBUON-UHFFFAOYSA-N
MW391.46 g/mol
LogP6.92
Rot. Bonds5

About 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole

4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole (PubChem CID 156877587) has the molecular formula C25H23F2NO and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole.

Molecular Properties

Compound Name4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole
PubChem CID156877587
Molecular FormulaC25H23F2NO
Molecular Weight391.46 g/mol
Exact Mass391.17
IUPAC Name4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole
SMILESCc1cc(-n2c(C(C)C)cc3c(F)c(OCc4ccccc4)ccc32)ccc1F
InChIInChI=1S/C25H23F2NO/c1-16(2)23-14-20-22(28(23)19-9-10-21(26)17(3)13-19)11-12-24(25(20)27)29-15-18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3
InChIKeyOCFCATQEANBUON-UHFFFAOYSA-N
XLogP6.92
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-propan-2-ylindol-5-ol
CID 156877251
5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 156878900
3-[1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindol-3-yl]-2-methoxy-2-methylpropanoic acid
CID 156877433
3-[1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindol-3-yl]-1H-pyrazole-5-carboxylic acid
CID 156877545
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305
5-fluoro-1-(4-fluoro-3-methylphenyl)-3-iodo-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 166558922
3-[1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide
CID 156877126
1-(3-fluoro-4-phenylmethoxyphenyl)-4-methylindazole
CID 71066878
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
methyl 4-[2-(1-cyano-2-methylpropan-2-yl)-5-fluoro-1-(4-fluoro-3-methylphenyl)-4-phenylmethoxyindol-3-yl]benzoate
CID 156878625
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole?
The IUPAC name of 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole (CID 156877587) is 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole.
What is the SMILES notation for 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole?
The canonical SMILES for 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole is Cc1cc(-n2c(C(C)C)cc3c(F)c(OCc4ccccc4)ccc32)ccc1F.
What is the InChIKey of 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole?
The InChIKey is OCFCATQEANBUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO/c1-16(2)23-14-20-22(28(23)19-9-10-21(26)17(3)13-19)11-12-24(25(20)27)29-15-18-7-5-4-6-8-18/h4-14,16H,15H2,1-3H3.
What are the key properties of 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole?
4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole has a molecular weight of 391.46 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-fluoro-3-methylphenyl)-5-phenylmethoxy-2-propan-2-ylindole is sourced from PubChem (CID 156877587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).