3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one

C25H25NO3 — CID 2893867

IUPAC3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
SMILESCOc1ccc(C2(c3ccc(OC)c(C)c3)C(=O)N(C)c3ccccc32)cc1C
InChIInChI=1S/C25H25NO3/c1-16-14-18(10-12-22(16)28-4)25(19-11-13-23(29-5)17(2)15-19)20-8-6-7-9-21(20)26(3)24(25)27/h6-15H,1-5H3
InChIKeyODZJXVVIOBHAHH-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.63
Rot. Bonds4

About 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one

3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one (PubChem CID 2893867) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one.

Molecular Properties

Compound Name3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
PubChem CID2893867
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
SMILESCOc1ccc(C2(c3ccc(OC)c(C)c3)C(=O)N(C)c3ccccc32)cc1C
InChIInChI=1S/C25H25NO3/c1-16-14-18(10-12-22(16)28-4)25(19-11-13-23(29-5)17(2)15-19)20-8-6-7-9-21(20)26(3)24(25)27/h6-15H,1-5H3
InChIKeyODZJXVVIOBHAHH-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
The IUPAC name of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one (CID 2893867) is 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one.
What is the SMILES notation for 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
The canonical SMILES for 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one is COc1ccc(C2(c3ccc(OC)c(C)c3)C(=O)N(C)c3ccccc32)cc1C.
What is the InChIKey of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
The InChIKey is ODZJXVVIOBHAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-16-14-18(10-12-22(16)28-4)25(19-11-13-23(29-5)17(2)15-19)20-8-6-7-9-21(20)26(3)24(25)27/h6-15H,1-5H3.
What are the key properties of 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one?
3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one has a molecular weight of 387.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one is sourced from PubChem (CID 2893867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).