5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione

C22H17NO4 — CID 141372243

IUPAC5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(O)cc4)ccc32)cc1
InChIInChI=1S/C22H17NO4/c1-27-18-9-2-14(3-10-18)13-23-20-11-6-16(12-19(20)21(25)22(23)26)15-4-7-17(24)8-5-15/h2-12,24H,13H2,1H3
InChIKeySZSAXLRFQKXWLL-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.80
Rot. Bonds4

About 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione

5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (PubChem CID 141372243) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
PubChem CID141372243
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(O)cc4)ccc32)cc1
InChIInChI=1S/C22H17NO4/c1-27-18-9-2-14(3-10-18)13-23-20-11-6-16(12-19(20)21(25)22(23)26)15-4-7-17(24)8-5-15/h2-12,24H,13H2,1H3
InChIKeySZSAXLRFQKXWLL-UHFFFAOYSA-N
XLogP3.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (CID 141372243) is 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(O)cc4)ccc32)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The InChIKey is SZSAXLRFQKXWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-27-18-9-2-14(3-10-18)13-23-20-11-6-16(12-19(20)21(25)22(23)26)15-4-7-17(24)8-5-15/h2-12,24H,13H2,1H3.
What are the key properties of 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione has a molecular weight of 359.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 141372243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).