1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole

C22H16F3NO — CID 101372752

IUPAC1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole
SMILESCOc1ccc(-n2c(-c3ccccc3)cc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C22H16F3NO/c1-27-19-10-8-18(9-11-19)26-20-12-7-17(22(23,24)25)13-16(20)14-21(26)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeySQGVDMFYHOBIRN-UHFFFAOYSA-N
MW367.37 g/mol
LogP6.32
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole

1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole (PubChem CID 101372752) has the molecular formula C22H16F3NO and a molecular weight of 367.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole
PubChem CID101372752
Molecular FormulaC22H16F3NO
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC Name1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole
SMILESCOc1ccc(-n2c(-c3ccccc3)cc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C22H16F3NO/c1-27-19-10-8-18(9-11-19)26-20-12-7-17(22(23,24)25)13-16(20)14-21(26)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeySQGVDMFYHOBIRN-UHFFFAOYSA-N
XLogP6.32
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-1H-indole
CID 775715
1-Ethyl-5-methoxy-2-(4-methoxyphenyl)-3-methylindole
CID 626468
3-methoxy-9-methyl-9H-carbazole
CID 2059429
5-(benzyloxy)-1,2-dimethyl-1H-indole
CID 975124
(9-Benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-ylmethyl)-dimethyl-amine
CID 12051078
N-[2-(1H-Indol-2-yl)phenyl]-N'-[4-(trifluoromethoxy)phenyl]urea
CID 16005793
8-Methoxy-2-methyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126270
5-[2-(4-Methoxyphenyl)ethyl]-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 44126325
1-(4-Methoxy-2-methylphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 44366347
8-Fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225027
3-(3-Amino-2-methylphenyl)-1-(4-methoxyphenyl)indole-5-carbonitrile
CID 138494685
1-[4-(difluoromethoxy)phenyl]-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea
CID 3469845

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole?
The IUPAC name of 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole (CID 101372752) is 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole is COc1ccc(-n2c(-c3ccccc3)cc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole?
The InChIKey is SQGVDMFYHOBIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3NO/c1-27-19-10-8-18(9-11-19)26-20-12-7-17(22(23,24)25)13-16(20)14-21(26)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole?
1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole has a molecular weight of 367.37 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-phenyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 101372752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).