(3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone

C12H11NO3 — CID 176532769

IUPAC(3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone
SMILESCCOC1=c2c(O)cc(C)cc2=NC1=C=O
InChIInChI=1S/C12H11NO3/c1-3-16-12-9(6-14)13-8-4-7(2)5-10(15)11(8)12/h4-5,15H,3H2,1-2H3
InChIKeyLSMVATJZXQJUIR-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.19
Rot. Bonds2

About (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone

(3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone (PubChem CID 176532769) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone.

Molecular Properties

Compound Name(3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone
PubChem CID176532769
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name(3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone
SMILESCCOC1=c2c(O)cc(C)cc2=NC1=C=O
InChIInChI=1S/C12H11NO3/c1-3-16-12-9(6-14)13-8-4-7(2)5-10(15)11(8)12/h4-5,15H,3H2,1-2H3
InChIKeyLSMVATJZXQJUIR-UHFFFAOYSA-N
XLogP0.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-carbonylindole
CID 20508739
3-Ethoxy-carbonyl-5-methoxyindole
CID 129872742
(5-Ethoxyindol-2-ylidene)methanone
CID 140972886
(3-Ethoxy-6-hydroxyindol-2-ylidene)methanone
CID 176532767
CID 176449926
CID 176449926
CID 176450165
CID 176450165

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone?
The IUPAC name of (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone (CID 176532769) is (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone.
What is the SMILES notation for (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone?
The canonical SMILES for (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone is CCOC1=c2c(O)cc(C)cc2=NC1=C=O.
What is the InChIKey of (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone?
The InChIKey is LSMVATJZXQJUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-3-16-12-9(6-14)13-8-4-7(2)5-10(15)11(8)12/h4-5,15H,3H2,1-2H3.
What are the key properties of (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone?
(3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone has a molecular weight of 217.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-hydroxy-6-methylindol-2-ylidene)methanone is sourced from PubChem (CID 176532769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).