(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one

C19H19NO5 — CID 51063603

IUPAC(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
SMILESCCOc1cccc(/C=C2\C(=O)Nc3cc(OC)c(OC)cc32)c1O
InChIInChI=1S/C19H19NO5/c1-4-25-15-7-5-6-11(18(15)21)8-13-12-9-16(23-2)17(24-3)10-14(12)20-19(13)22/h5-10,21H,4H2,1-3H3,(H,20,22)/b13-8-
InChIKeyUBQOJFIEEPCHSC-JYRVWZFOSA-N
MW341.36 g/mol
LogP3.30
Rot. Bonds5

About (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one

(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one (PubChem CID 51063603) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
PubChem CID51063603
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
SMILESCCOc1cccc(/C=C2\C(=O)Nc3cc(OC)c(OC)cc32)c1O
InChIInChI=1S/C19H19NO5/c1-4-25-15-7-5-6-11(18(15)21)8-13-12-9-16(23-2)17(24-3)10-14(12)20-19(13)22/h5-10,21H,4H2,1-3H3,(H,20,22)/b13-8-
InChIKeyUBQOJFIEEPCHSC-JYRVWZFOSA-N
XLogP3.30
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Aplindore
CID 158784
(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 11544661
Aplindore Fumarate
CID 6440763
Avenanthramide 2
CID 101228785
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277
N-1,3-benzodioxol-5-yl-4-butoxybenzamide
CID 2233891
3-[(4-hydroxy-3-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CID 16413182
N-[7-(1-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzamide
CID 2967039
(Z)-3-(4-hydroxy-3,5-dimethoxybenzylidene)indolin-2-one
CID 2437106
5,6-Dimethoxyindolin-2-one
CID 222993
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 650223

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one (CID 51063603) is (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one is CCOc1cccc(/C=C2\C(=O)Nc3cc(OC)c(OC)cc32)c1O.
What is the InChIKey of (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
The InChIKey is UBQOJFIEEPCHSC-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H19NO5/c1-4-25-15-7-5-6-11(18(15)21)8-13-12-9-16(23-2)17(24-3)10-14(12)20-19(13)22/h5-10,21H,4H2,1-3H3,(H,20,22)/b13-8-.
What are the key properties of (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one?
(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one has a molecular weight of 341.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one is sourced from PubChem (CID 51063603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).