carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol

C16H18CrNO- — CID 135967147

IUPACcarbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
SMILESCc1ccccc1/N=C/c1cccc(C)c1O.[CH3-].[Cr]
InChIInChI=1S/C15H15NO.CH3.Cr/c1-11-6-3-4-9-14(11)16-10-13-8-5-7-12(2)15(13)17;;/h3-10,17H,1-2H3;1H3;/q;-1;/b16-10+;;
InChIKeyQYGNMBBWOFTFDX-CNSDMJOKSA-N
MW292.32 g/mol
LogP4.21
Rot. Bonds2

About carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol

carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol (PubChem CID 135967147) has the molecular formula C16H18CrNO- and a molecular weight of 292.32 g/mol. Its IUPAC name is carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Namecarbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
PubChem CID135967147
Molecular FormulaC16H18CrNO-
Molecular Weight292.32 g/mol
Exact Mass292.08
IUPAC Namecarbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
SMILESCc1ccccc1/N=C/c1cccc(C)c1O.[CH3-].[Cr]
InChIInChI=1S/C15H15NO.CH3.Cr/c1-11-6-3-4-9-14(11)16-10-13-8-5-7-12(2)15(13)17;;/h3-10,17H,1-2H3;1H3;/q;-1;/b16-10+;;
InChIKeyQYGNMBBWOFTFDX-CNSDMJOKSA-N
XLogP4.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-methyl-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135810605
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine
CID 145489460
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
CID 1224312
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
CID 21342904
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
CID 135967228
3-[[4-[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]benzene-1,2-diol
CID 1377771
1-(3-tert-butyl-2-methylphenyl)-N-(2-methylphenyl)methanimine
CID 59926441
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
CID 1105722

Frequently Asked Questions

What is the IUPAC name of carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol?
The IUPAC name of carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol (CID 135967147) is carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol.
What is the SMILES notation for carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol?
The canonical SMILES for carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol is Cc1ccccc1/N=C/c1cccc(C)c1O.[CH3-].[Cr].
What is the InChIKey of carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol?
The InChIKey is QYGNMBBWOFTFDX-CNSDMJOKSA-N. The full InChI is InChI=1S/C15H15NO.CH3.Cr/c1-11-6-3-4-9-14(11)16-10-13-8-5-7-12(2)15(13)17;;/h3-10,17H,1-2H3;1H3;/q;-1;/b16-10+;;.
What are the key properties of carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol?
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol has a molecular weight of 292.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135967147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).