chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol

C12H17CrNO — CID 23578309

IUPACchromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol
SMILESCc1cc(C)c(O)c(/N=C/C(C)C)c1.[Cr]
InChIInChI=1S/C12H17NO.Cr/c1-8(2)7-13-11-6-9(3)5-10(4)12(11)14;/h5-8,14H,1-4H3;/b13-7+;
InChIKeyCBWDANQUHIDKDB-FTPOTTDRSA-N
MW243.27 g/mol
LogP3.36
Rot. Bonds2

About chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol

chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol (PubChem CID 23578309) has the molecular formula C12H17CrNO and a molecular weight of 243.27 g/mol. Its IUPAC name is chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol.

Molecular Properties

Compound Namechromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol
PubChem CID23578309
Molecular FormulaC12H17CrNO
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Namechromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol
SMILESCc1cc(C)c(O)c(/N=C/C(C)C)c1.[Cr]
InChIInChI=1S/C12H17NO.Cr/c1-8(2)7-13-11-6-9(3)5-10(4)12(11)14;/h5-8,14H,1-4H3;/b13-7+;
InChIKeyCBWDANQUHIDKDB-FTPOTTDRSA-N
XLogP3.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

chromium;2,4-dimethyl-6-(2,2,2-trifluoroethylideneamino)phenol
CID 23578306
bis(dimethylazanide);2,4-dimethyl-6-[(2,4,6-trimethylphenyl)methylideneamino]phenol;titanium(2+)
CID 23579022
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
2-[(2,4-dichlorophenyl)methylideneamino]-4,6-dimethylphenol
CID 779335
2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779811
2-[(2-hydroxy-3,5-dimethylphenyl)disulfanyl]-4,6-dimethylphenol
CID 22600807
2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
CID 3664795
3,4-dibromo-2-[(2-hydroxy-3,5-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 1379409
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
2-tert-butyl-4-methyl-6-(propylideneamino)phenol
CID 23578577
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245

Frequently Asked Questions

What is the IUPAC name of chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol?
The IUPAC name of chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol (CID 23578309) is chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol.
What is the SMILES notation for chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol?
The canonical SMILES for chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol is Cc1cc(C)c(O)c(/N=C/C(C)C)c1.[Cr].
What is the InChIKey of chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol?
The InChIKey is CBWDANQUHIDKDB-FTPOTTDRSA-N. The full InChI is InChI=1S/C12H17NO.Cr/c1-8(2)7-13-11-6-9(3)5-10(4)12(11)14;/h5-8,14H,1-4H3;/b13-7+;.
What are the key properties of chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol?
chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol has a molecular weight of 243.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2,4-dimethyl-6-(2-methylpropylideneamino)phenol is sourced from PubChem (CID 23578309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).