(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone

C23H18FNO3 — CID 11624978

IUPAC(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone
SMILESCOc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1
InChIInChI=1S/C23H18FNO3/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15/h3-14H,1-2H3
InChIKeyVXTQLUHRUQCEBS-UHFFFAOYSA-N
MW375.40 g/mol
LogP5.02
Rot. Bonds5

About (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone

(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone (PubChem CID 11624978) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone
PubChem CID11624978
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone
SMILESCOc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1
InChIInChI=1S/C23H18FNO3/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15/h3-14H,1-2H3
InChIKeyVXTQLUHRUQCEBS-UHFFFAOYSA-N
XLogP5.02
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.40
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone (CID 11624978) is (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone is COc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1.
What is the InChIKey of (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone?
The InChIKey is VXTQLUHRUQCEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15/h3-14H,1-2H3.
What are the key properties of (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone?
(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone has a molecular weight of 375.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone is sourced from PubChem (CID 11624978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).