1-(4-methoxyphenyl)-2-methyl-3-phenylindole

C22H19NO — CID 102459165

IUPAC1-(4-methoxyphenyl)-2-methyl-3-phenylindole
SMILESCOc1ccc(-n2c(C)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C22H19NO/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)23(16)18-12-14-19(24-2)15-13-18/h3-15H,1-2H3
InChIKeyXMYWBNDVYZZRLN-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.61
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-methyl-3-phenylindole

1-(4-methoxyphenyl)-2-methyl-3-phenylindole (PubChem CID 102459165) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-3-phenylindole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-3-phenylindole
PubChem CID102459165
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-(4-methoxyphenyl)-2-methyl-3-phenylindole
SMILESCOc1ccc(-n2c(C)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C22H19NO/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)23(16)18-12-14-19(24-2)15-13-18/h3-15H,1-2H3
InChIKeyXMYWBNDVYZZRLN-UHFFFAOYSA-N
XLogP5.61
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
1-(4-methoxyphenyl)-2-methylindole-3-carboxylic acid
CID 172684717
9-(4-methoxyphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377538
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-methoxyphenyl)phenyl]-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]aniline
CID 160761682
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
2-bromo-1-(4-methoxyphenyl)indol-3-amine
CID 70910020
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-3-phenylindole?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-3-phenylindole (CID 102459165) is 1-(4-methoxyphenyl)-2-methyl-3-phenylindole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-3-phenylindole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-3-phenylindole is COc1ccc(-n2c(C)c(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-3-phenylindole?
The InChIKey is XMYWBNDVYZZRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)23(16)18-12-14-19(24-2)15-13-18/h3-15H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-3-phenylindole?
1-(4-methoxyphenyl)-2-methyl-3-phenylindole has a molecular weight of 313.40 g/mol, XLogP of 5.61, 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-methyl-3-phenylindole is sourced from PubChem (CID 102459165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).