2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol

C20H17NO — CID 1224312

IUPAC2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
SMILESCc1cccc(/C=N/c2ccc3c4c(cccc24)CC3)c1O
InChIInChI=1S/C20H17NO/c1-13-4-2-6-16(20(13)22)12-21-18-11-10-15-9-8-14-5-3-7-17(18)19(14)15/h2-7,10-12,22H,8-9H2,1H3/b21-12+
InChIKeyVGQROOFMJFFLIS-CIAFOILYSA-N
MW287.36 g/mol
LogP4.70
Rot. Bonds2

About 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol

2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol (PubChem CID 1224312) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
PubChem CID1224312
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
SMILESCc1cccc(/C=N/c2ccc3c4c(cccc24)CC3)c1O
InChIInChI=1S/C20H17NO/c1-13-4-2-6-16(20(13)22)12-21-18-11-10-15-9-8-14-5-3-7-17(18)19(14)15/h2-7,10-12,22H,8-9H2,1H3/b21-12+
InChIKeyVGQROOFMJFFLIS-CIAFOILYSA-N
XLogP4.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methoxyphenol
CID 4120706
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol
CID 164862973
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
2-methyl-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135810605
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
CID 135967228
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
3-[[4-[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]benzene-1,2-diol
CID 1377771
2-methyl-6-[(E)-pyrimidin-2-yliminomethyl]phenol;trichlorotantalum
CID 135967215
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
2-ethoxy-6-(5,6,7,8-tetrahydronaphthalen-1-yliminomethyl)phenol
CID 135657451
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol (CID 1224312) is 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol is Cc1cccc(/C=N/c2ccc3c4c(cccc24)CC3)c1O.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol?
The InChIKey is VGQROOFMJFFLIS-CIAFOILYSA-N. The full InChI is InChI=1S/C20H17NO/c1-13-4-2-6-16(20(13)22)12-21-18-11-10-15-9-8-14-5-3-7-17(18)19(14)15/h2-7,10-12,22H,8-9H2,1H3/b21-12+.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol?
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol has a molecular weight of 287.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol is sourced from PubChem (CID 1224312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).