2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol

C17H17NO2 — CID 4849076

IUPAC2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O
InChIInChI=1S/C17H17NO2/c1-20-16-7-3-6-14(17(16)19)11-18-15-9-8-12-4-2-5-13(12)10-15/h3,6-11,19H,2,4-5H2,1H3/b18-11+
InChIKeyASFLQPSNVCRBOH-WOJGMQOQSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol

2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol (PubChem CID 4849076) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol
PubChem CID4849076
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O
InChIInChI=1S/C17H17NO2/c1-20-16-7-3-6-14(17(16)19)11-18-15-9-8-12-4-2-5-13(12)10-15/h3,6-11,19H,2,4-5H2,1H3/b18-11+
InChIKeyASFLQPSNVCRBOH-WOJGMQOQSA-N
XLogP3.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol (CID 4849076) is 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol is COc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol?
The InChIKey is ASFLQPSNVCRBOH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-16-7-3-6-14(17(16)19)11-18-15-9-8-12-4-2-5-13(12)10-15/h3,6-11,19H,2,4-5H2,1H3/b18-11+.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol?
2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol has a molecular weight of 267.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 4849076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).