1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone

C18H16N2O3 — CID 177379986

IUPAC1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
SMILESCOc1ccccc1/N=C/c1c(O)c2ccccc2n1C(C)=O
InChIInChI=1S/C18H16N2O3/c1-12(21)20-15-9-5-3-7-13(15)18(22)16(20)11-19-14-8-4-6-10-17(14)23-2/h3-11,22H,1-2H3/b19-11+
InChIKeyPWLPHZCGDVWXMV-YBFXNURJSA-N
MW308.34 g/mol
LogP3.77
Rot. Bonds3

About 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone

1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone (PubChem CID 177379986) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
PubChem CID177379986
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone
SMILESCOc1ccccc1/N=C/c1c(O)c2ccccc2n1C(C)=O
InChIInChI=1S/C18H16N2O3/c1-12(21)20-15-9-5-3-7-13(15)18(22)16(20)11-19-14-8-4-6-10-17(14)23-2/h3-11,22H,1-2H3/b19-11+
InChIKeyPWLPHZCGDVWXMV-YBFXNURJSA-N
XLogP3.77
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone (CID 177379986) is 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone is COc1ccccc1/N=C/c1c(O)c2ccccc2n1C(C)=O.
What is the InChIKey of 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
The InChIKey is PWLPHZCGDVWXMV-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)20-15-9-5-3-7-13(15)18(22)16(20)11-19-14-8-4-6-10-17(14)23-2/h3-11,22H,1-2H3/b19-11+.
What are the key properties of 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone?
1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone has a molecular weight of 308.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-2-[(2-methoxyphenyl)iminomethyl]indol-1-yl]ethanone is sourced from PubChem (CID 177379986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).