3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one

C26H25NO3 — CID 15991224

IUPAC3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H25NO3/c1-3-19-12-14-21(15-13-19)24(28)16-26(30)22-6-4-5-7-23(22)27(25(26)29)17-20-10-8-18(2)9-11-20/h4-15,30H,3,16-17H2,1-2H3
InChIKeyVHMACOSVMDYEOX-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.56
Rot. Bonds6

About 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one

3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one (PubChem CID 15991224) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
PubChem CID15991224
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
SMILESCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H25NO3/c1-3-19-12-14-21(15-13-19)24(28)16-26(30)22-6-4-5-7-23(22)27(25(26)29)17-20-10-8-18(2)9-11-20/h4-15,30H,3,16-17H2,1-2H3
InChIKeyVHMACOSVMDYEOX-UHFFFAOYSA-N
XLogP4.56
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one (CID 15991224) is 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one is CCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
The InChIKey is VHMACOSVMDYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-3-19-12-14-21(15-13-19)24(28)16-26(30)22-6-4-5-7-23(22)27(25(26)29)17-20-10-8-18(2)9-11-20/h4-15,30H,3,16-17H2,1-2H3.
What are the key properties of 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one?
3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one has a molecular weight of 399.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one is sourced from PubChem (CID 15991224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).