3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole

C22H18ClNO — CID 102421670

IUPAC3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole
SMILESCOc1ccccc1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1C
InChIInChI=1S/C22H18ClNO/c1-24-19-9-5-3-7-17(19)21(15-11-13-16(23)14-12-15)22(24)18-8-4-6-10-20(18)25-2/h3-14H,1-2H3
InChIKeyZGWUTXNTALQGSK-UHFFFAOYSA-N
MW347.85 g/mol
LogP6.17
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole

3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole (PubChem CID 102421670) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole
PubChem CID102421670
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole
SMILESCOc1ccccc1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1C
InChIInChI=1S/C22H18ClNO/c1-24-19-9-5-3-7-17(19)21(15-11-13-16(23)14-12-15)22(24)18-8-4-6-10-20(18)25-2/h3-14H,1-2H3
InChIKeyZGWUTXNTALQGSK-UHFFFAOYSA-N
XLogP6.17
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
CID 67595885
1-methyl-2,3-diphenylindole
CID 11426096
2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one
CID 11703927
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
6-[4-(4-chlorophenyl)phenyl]-2-(2-methoxyphenyl)-3-methylquinazolin-4-one
CID 143174772
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
1-chloro-2-methoxy-9-methylcarbazole
CID 10634135
4-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-3-methoxyquinolin-2-one
CID 142438166
4-chloro-1-[(4-chlorophenyl)methyl]-3,5-bis(2-methoxyphenyl)pyrazole
CID 19586867

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole (CID 102421670) is 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole is COc1ccccc1-c1c(-c2ccc(Cl)cc2)c2ccccc2n1C.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole?
The InChIKey is ZGWUTXNTALQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c1-24-19-9-5-3-7-17(19)21(15-11-13-16(23)14-12-15)22(24)18-8-4-6-10-20(18)25-2/h3-14H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole?
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole has a molecular weight of 347.85 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-1-methylindole is sourced from PubChem (CID 102421670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).