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

C18H19NO2 — CID 135595869

IUPAC2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O
InChIInChI=1S/C18H19NO2/c1-2-21-17-8-4-7-15(18(17)20)12-19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12,20H,2-3,5-6H2,1H3/b19-12+
InChIKeyJLVWHWSPJGSBKU-XDHOZWIPSA-N
MW281.36 g/mol
LogP4.03
Rot. Bonds4

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

2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol (PubChem CID 135595869) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol
PubChem CID135595869
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol
SMILESCCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O
InChIInChI=1S/C18H19NO2/c1-2-21-17-8-4-7-15(18(17)20)12-19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12,20H,2-3,5-6H2,1H3/b19-12+
InChIKeyJLVWHWSPJGSBKU-XDHOZWIPSA-N
XLogP4.03
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-ethoxy-6-(5,6,7,8-tetrahydronaphthalen-1-yliminomethyl)phenol
CID 135657451
2-ethoxy-6-[(4-iodophenyl)iminomethyl]phenol
CID 135595177
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
2-[(4-anilinophenyl)iminomethyl]-6-ethoxyphenol
CID 135774329
2-ethoxy-6-(pyridin-3-yliminomethyl)phenol
CID 135840457
2-[(2,6-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657455
5-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 135855210
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
2-[(2,5-diethoxyphenyl)iminomethyl]-6-ethoxyphenol
CID 135657460
3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
CID 3465274
2-[(2,4-dimethylphenyl)iminomethyl]-6-ethoxyphenol
CID 135657453

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol (CID 135595869) is 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol is CCOc1cccc(/C=N/c2ccc3c(c2)CCC3)c1O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol?
The InChIKey is JLVWHWSPJGSBKU-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-21-17-8-4-7-15(18(17)20)12-19-16-10-9-13-5-3-6-14(13)11-16/h4,7-12,20H,2-3,5-6H2,1H3/b19-12+.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol?
2-(2,3-dihydro-1H-inden-5-yliminomethyl)-6-ethoxyphenol has a molecular weight of 281.36 g/mol, XLogP of 4.03, 4 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-ethoxyphenol is sourced from PubChem (CID 135595869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).