2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole

C22H18FNO — CID 71492038

IUPAC2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2c(-c3ccc(C)c(F)c3)cc3ccccc32)cc1
InChIInChI=1S/C22H18FNO/c1-15-7-8-17(13-20(15)23)22-14-16-5-3-4-6-21(16)24(22)18-9-11-19(25-2)12-10-18/h3-14H,1-2H3
InChIKeyALKHNBRURQOSCN-UHFFFAOYSA-N
MW331.39 g/mol
LogP5.75
Rot. Bonds3

About 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole

2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole (PubChem CID 71492038) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole
PubChem CID71492038
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole
SMILESCOc1ccc(-n2c(-c3ccc(C)c(F)c3)cc3ccccc32)cc1
InChIInChI=1S/C22H18FNO/c1-15-7-8-17(13-20(15)23)22-14-16-5-3-4-6-21(16)24(22)18-9-11-19(25-2)12-10-18/h3-14H,1-2H3
InChIKeyALKHNBRURQOSCN-UHFFFAOYSA-N
XLogP5.75
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-methoxyphenyl)-1H-indole
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1-Ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
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3-methoxy-9-methyl-9H-carbazole
CID 2059429
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
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17-Methoxy-11,21-dimethyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15(20),16,18-heptaene
CID 16665071
5-(benzyloxy)-1,2-dimethyl-1H-indole
CID 975124
2-[2-(4-Methoxyphenyl)ethyl]quinoline
CID 223220
6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9977389

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole (CID 71492038) is 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole is COc1ccc(-n2c(-c3ccc(C)c(F)c3)cc3ccccc32)cc1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole?
The InChIKey is ALKHNBRURQOSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c1-15-7-8-17(13-20(15)23)22-14-16-5-3-4-6-21(16)24(22)18-9-11-19(25-2)12-10-18/h3-14H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole?
2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole has a molecular weight of 331.39 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)indole is sourced from PubChem (CID 71492038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).