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

C16H13NO3 — CID 3486422

IUPAC3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(C=C2C(=O)Nc3ccccc32)ccc1O
InChIInChI=1S/C16H13NO3/c1-20-15-9-10(6-7-14(15)18)8-12-11-4-2-3-5-13(11)17-16(12)19/h2-9,18H,1H3,(H,17,19)
InChIKeyARYKOLLRNTUQIP-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.89
Rot. Bonds2

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

3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 3486422) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID3486422
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(C=C2C(=O)Nc3ccccc32)ccc1O
InChIInChI=1S/C16H13NO3/c1-20-15-9-10(6-7-14(15)18)8-12-11-4-2-3-5-13(11)17-16(12)19/h2-9,18H,1H3,(H,17,19)
InChIKeyARYKOLLRNTUQIP-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
(3E)-3-[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enylidene]-1H-indol-2-one
CID 74221213
3-[4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enylidene]-1H-indol-2-one
CID 123982841
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(3Z)-3-[(3,4-dimethylphenyl)methylidene]-1H-indol-2-one
CID 58923998
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 67357920
(3Z)-3-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1H-indol-2-one
CID 69304942

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one (CID 3486422) is 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one is COc1cc(C=C2C(=O)Nc3ccccc32)ccc1O.
What is the InChIKey of 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is ARYKOLLRNTUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-15-9-10(6-7-14(15)18)8-12-11-4-2-3-5-13(11)17-16(12)19/h2-9,18H,1H3,(H,17,19).
What are the key properties of 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one?
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 267.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 3486422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).