3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one

C23H21NO4 — CID 141372265

IUPAC3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)C(O)c3cc(-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C23H21NO4/c1-27-18-8-3-15(4-9-18)14-24-21-12-7-17(13-20(21)22(25)23(24)26)16-5-10-19(28-2)11-6-16/h3-13,22,25H,14H2,1-2H3
InChIKeyNDFUGRNSKABAHC-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.95
Rot. Bonds5

About 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one

3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 141372265) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
PubChem CID141372265
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CN2C(=O)C(O)c3cc(-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C23H21NO4/c1-27-18-8-3-15(4-9-18)14-24-21-12-7-17(13-20(21)22(25)23(24)26)16-5-10-19(28-2)11-6-16/h3-13,22,25H,14H2,1-2H3
InChIKeyNDFUGRNSKABAHC-UHFFFAOYSA-N
XLogP3.95
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one (CID 141372265) is 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one is COc1ccc(CN2C(=O)C(O)c3cc(-c4ccc(OC)cc4)ccc32)cc1.
What is the InChIKey of 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is NDFUGRNSKABAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-18-8-3-15(4-9-18)14-24-21-12-7-17(13-20(21)22(25)23(24)26)16-5-10-19(28-2)11-6-16/h3-13,22,25H,14H2,1-2H3.
What are the key properties of 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one?
3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 375.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 141372265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).