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

C23H20FNO2 — CID 25058203

IUPAC3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole
SMILESCOc1ccc(-c2c(-c3ccc(OC)c(F)c3)c3ccccc3n2C)cc1
InChIInChI=1S/C23H20FNO2/c1-25-20-7-5-4-6-18(20)22(16-10-13-21(27-3)19(24)14-16)23(25)15-8-11-17(26-2)12-9-15/h4-14H,1-3H3
InChIKeyLJMZNFNMSMDQKF-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.67
Rot. Bonds4

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

3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole (PubChem CID 25058203) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole
PubChem CID25058203
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole
SMILESCOc1ccc(-c2c(-c3ccc(OC)c(F)c3)c3ccccc3n2C)cc1
InChIInChI=1S/C23H20FNO2/c1-25-20-7-5-4-6-18(20)22(16-10-13-21(27-3)19(24)14-16)23(25)15-8-11-17(26-2)12-9-15/h4-14H,1-3H3
InChIKeyLJMZNFNMSMDQKF-UHFFFAOYSA-N
XLogP5.67
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole (CID 25058203) is 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole is COc1ccc(-c2c(-c3ccc(OC)c(F)c3)c3ccccc3n2C)cc1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole?
The InChIKey is LJMZNFNMSMDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-25-20-7-5-4-6-18(20)22(16-10-13-21(27-3)19(24)14-16)23(25)15-8-11-17(26-2)12-9-15/h4-14H,1-3H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole?
3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole has a molecular weight of 361.42 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methylindole is sourced from PubChem (CID 25058203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).