2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole

C21H16ClNO — CID 71517931

IUPAC2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H16ClNO/c1-24-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)23-21(20)15-6-10-16(22)11-7-15/h2-13,23H,1H3
InChIKeyKBKRFEKRXZGKFT-UHFFFAOYSA-N
MW333.82 g/mol
LogP6.16
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole

2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole (PubChem CID 71517931) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
PubChem CID71517931
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C21H16ClNO/c1-24-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)23-21(20)15-6-10-16(22)11-7-15/h2-13,23H,1H3
InChIKeyKBKRFEKRXZGKFT-UHFFFAOYSA-N
XLogP6.16
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932
3-chloro-2-(4-methoxyphenyl)-1H-quinolin-4-one
CID 70694151
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
2-(4-methoxyphenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746093
2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
CID 10596987
5-chloro-3-cyclopropyl-2-(4-methoxyphenyl)-1H-indole
CID 143870441
2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 5004056
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
CID 139885625
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole (CID 71517931) is 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole is COc1ccc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole?
The InChIKey is KBKRFEKRXZGKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c1-24-17-12-8-14(9-13-17)20-18-4-2-3-5-19(18)23-21(20)15-6-10-16(22)11-7-15/h2-13,23H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole?
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole has a molecular weight of 333.82 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole is sourced from PubChem (CID 71517931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).