3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde

C20H17NO2 — CID 136881072

IUPAC3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde
SMILESCCc1ccccc1/N=C/c1cc(C=O)c2ccccc2c1O
InChIInChI=1S/C20H17NO2/c1-2-14-7-3-6-10-19(14)21-12-15-11-16(13-22)17-8-4-5-9-18(17)20(15)23/h3-13,23H,2H2,1H3/b21-12+
InChIKeyKVNVALZVOBJGSC-CIAFOILYSA-N
MW303.36 g/mol
LogP4.67
Rot. Bonds4

About 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde

3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde (PubChem CID 136881072) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde
PubChem CID136881072
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde
SMILESCCc1ccccc1/N=C/c1cc(C=O)c2ccccc2c1O
InChIInChI=1S/C20H17NO2/c1-2-14-7-3-6-10-19(14)21-12-15-11-16(13-22)17-8-4-5-9-18(17)20(15)23/h3-13,23H,2H2,1H3/b21-12+
InChIKeyKVNVALZVOBJGSC-CIAFOILYSA-N
XLogP4.67
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]phenyl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137090771
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 136596197
4-benzyl-2-bromo-6-(naphthalen-1-yliminomethyl)phenol
CID 3987318
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770
2-ethylnaphthalene-1,4-diol
CID 13077288
3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol
CID 136753923
1-hydroxy-4-methylsulfonylnaphthalene-2-carbaldehyde
CID 162383763
2-[(2-ethylphenyl)iminomethyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 135411570
5-ethyl-4-hydroxy-3-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 10016170
2-[(3-chloro-2-methylphenyl)iminomethyl]naphthalen-1-ol
CID 135953569
methyl 4-hydroxy-3,5-bis[(2-hydroxyphenyl)iminomethyl]benzoate
CID 136845916

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde (CID 136881072) is 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde is CCc1ccccc1/N=C/c1cc(C=O)c2ccccc2c1O.
What is the InChIKey of 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is KVNVALZVOBJGSC-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-14-7-3-6-10-19(14)21-12-15-11-16(13-22)17-8-4-5-9-18(17)20(15)23/h3-13,23H,2H2,1H3/b21-12+.
What are the key properties of 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde?
3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 303.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylphenyl)iminomethyl]-4-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 136881072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).