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

C18H17NO5 — CID 3699611

IUPAC3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(OC)cc32)cc1
InChIInChI=1S/C18H17NO5/c1-23-12-5-3-11(4-6-12)16(20)10-18(22)14-9-13(24-2)7-8-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyZDSOJFZAVNVCHG-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.12
Rot. Bonds5

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

3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 3699611) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID3699611
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(OC)cc32)cc1
InChIInChI=1S/C18H17NO5/c1-23-12-5-3-11(4-6-12)16(20)10-18(22)14-9-13(24-2)7-8-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyZDSOJFZAVNVCHG-UHFFFAOYSA-N
XLogP2.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (CID 3699611) is 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is COc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(OC)cc32)cc1.
What is the InChIKey of 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is ZDSOJFZAVNVCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-12-5-3-11(4-6-12)16(20)10-18(22)14-9-13(24-2)7-8-15(14)19-17(18)21/h3-9,22H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 327.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 3699611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).