chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol

C25H29ClNORu — CID 135405295

IUPACchlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
SMILESC[C@H](/N=C/c1ccccc1O)c1ccccc1.Cc1ccc(C(C)C)cc1.Cl[Ru]
InChIInChI=1S/C15H15NO.C10H14.ClH.Ru/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17;1-8(2)10-6-4-9(3)5-7-10;;/h2-12,17H,1H3;4-8H,1-3H3;1H;/q;;;+1/p-1/b16-11+;;;/t12-;;;/m0.../s1
InChIKeyJZYORCCUSXWJCQ-KYUUXWJZSA-M
MW496.04 g/mol
LogP7.38
Rot. Bonds4

About chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol

chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol (PubChem CID 135405295) has the molecular formula C25H29ClNORu and a molecular weight of 496.04 g/mol. Its IUPAC name is chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol.

Molecular Properties

Compound Namechlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
PubChem CID135405295
Molecular FormulaC25H29ClNORu
Molecular Weight496.04 g/mol
Exact Mass496.10
IUPAC Namechlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
SMILESC[C@H](/N=C/c1ccccc1O)c1ccccc1.Cc1ccc(C(C)C)cc1.Cl[Ru]
InChIInChI=1S/C15H15NO.C10H14.ClH.Ru/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17;1-8(2)10-6-4-9(3)5-7-10;;/h2-12,17H,1H3;4-8H,1-3H3;1H;/q;;;+1/p-1/b16-11+;;;/t12-;;;/m0.../s1
InChIKeyJZYORCCUSXWJCQ-KYUUXWJZSA-M
XLogP7.38
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.04
LogP ≤ 57.38
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-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
CID 166437320
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
CID 135758103
2-[[(1S,2R)-1,2-bis(4-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol;cobalt
CID 135514483
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
CID 136861223
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
1-[2-bis[2-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phosphorylphenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101273212
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513

Frequently Asked Questions

What is the IUPAC name of chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol?
The IUPAC name of chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol (CID 135405295) is chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol.
What is the SMILES notation for chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol?
The canonical SMILES for chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol is C[C@H](/N=C/c1ccccc1O)c1ccccc1.Cc1ccc(C(C)C)cc1.Cl[Ru].
What is the InChIKey of chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol?
The InChIKey is JZYORCCUSXWJCQ-KYUUXWJZSA-M. The full InChI is InChI=1S/C15H15NO.C10H14.ClH.Ru/c1-12(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)17;1-8(2)10-6-4-9(3)5-7-10;;/h2-12,17H,1H3;4-8H,1-3H3;1H;/q;;;+1/p-1/b16-11+;;;/t12-;;;/m0.../s1.
What are the key properties of chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol?
chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol has a molecular weight of 496.04 g/mol, XLogP of 7.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol is sourced from PubChem (CID 135405295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).