2,6-di(propan-2-yl)phenol;phenyliminomolybdenum

C18H23MoNO — CID 175693069

IUPAC2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
SMILESCC(C)c1cccc(C(C)C)c1O.[Mo]=Nc1ccccc1
InChIInChI=1S/C12H18O.C6H5N.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-6-4-2-1-3-5-6;/h5-9,13H,1-4H3;1-5H;
InChIKeyACJXERSYQLSLSM-UHFFFAOYSA-N
MW365.33 g/mol
LogP5.69
Rot. Bonds3

About 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum

2,6-di(propan-2-yl)phenol;phenyliminomolybdenum (PubChem CID 175693069) has the molecular formula C18H23MoNO and a molecular weight of 365.33 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum.

Molecular Properties

Compound Name2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
PubChem CID175693069
Molecular FormulaC18H23MoNO
Molecular Weight365.33 g/mol
Exact Mass367.08
IUPAC Name2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
SMILESCC(C)c1cccc(C(C)C)c1O.[Mo]=Nc1ccccc1
InChIInChI=1S/C12H18O.C6H5N.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-6-4-2-1-3-5-6;/h5-9,13H,1-4H3;1-5H;
InChIKeyACJXERSYQLSLSM-UHFFFAOYSA-N
XLogP5.69
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.33
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
4-(phenyliminomethylideneamino)-2,6-di(propan-2-yl)phenol
CID 56983178
dichlorotungsten;bis(2,6-di(propan-2-yl)phenol);2-phenylethynylbenzene
CID 134898789
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
2-bromo-6-propan-2-ylphenol
CID 14663965
2-[(1S)-1,2-diaminoethyl]-6-propan-2-ylphenol
CID 55262533
2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
CID 11210933

Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum?
The IUPAC name of 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum (CID 175693069) is 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum.
What is the SMILES notation for 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum?
The canonical SMILES for 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum is CC(C)c1cccc(C(C)C)c1O.[Mo]=Nc1ccccc1.
What is the InChIKey of 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum?
The InChIKey is ACJXERSYQLSLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C6H5N.Mo/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-6-4-2-1-3-5-6;/h5-9,13H,1-4H3;1-5H;.
What are the key properties of 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum?
2,6-di(propan-2-yl)phenol;phenyliminomolybdenum has a molecular weight of 365.33 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)phenol;phenyliminomolybdenum is sourced from PubChem (CID 175693069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).