2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone

C30H25NO2 — CID 139255832

IUPAC2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone
SMILESCOc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C30H25NO2/c1-31-21-27(26-15-9-10-16-28(26)31)30(23-13-7-4-8-14-23,24-17-19-25(33-2)20-18-24)29(32)22-11-5-3-6-12-22/h3-21H,1-2H3
InChIKeyDGZBXRXIYUIOMO-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.40
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone

2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone (PubChem CID 139255832) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone
PubChem CID139255832
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone
SMILESCOc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C30H25NO2/c1-31-21-27(26-15-9-10-16-28(26)31)30(23-13-7-4-8-14-23,24-17-19-25(33-2)20-18-24)29(32)22-11-5-3-6-12-22/h3-21H,1-2H3
InChIKeyDGZBXRXIYUIOMO-UHFFFAOYSA-N
XLogP6.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone?
The IUPAC name of 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone (CID 139255832) is 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone is COc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone?
The InChIKey is DGZBXRXIYUIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO2/c1-31-21-27(26-15-9-10-16-28(26)31)30(23-13-7-4-8-14-23,24-17-19-25(33-2)20-18-24)29(32)22-11-5-3-6-12-22/h3-21H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone?
2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone has a molecular weight of 431.54 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(1-methylindol-3-yl)-1,2-diphenylethanone is sourced from PubChem (CID 139255832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).