2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol

C17H18INO — CID 173494309

IUPAC2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
SMILESCc1cc(C=NI)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C17H18INO/c1-12-9-13(11-19-18)16(20)15(10-12)17(2,3)14-7-5-4-6-8-14/h4-11,20H,1-3H3
InChIKeyMVMUWSUKVVRIPM-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.80
Rot. Bonds3

About 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol

2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol (PubChem CID 173494309) has the molecular formula C17H18INO and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
PubChem CID173494309
Molecular FormulaC17H18INO
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC Name2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
SMILESCc1cc(C=NI)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C17H18INO/c1-12-9-13(11-19-18)16(20)15(10-12)17(2,3)14-7-5-4-6-8-14/h4-11,20H,1-3H3
InChIKeyMVMUWSUKVVRIPM-UHFFFAOYSA-N
XLogP4.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyclopentyl-4,6-dimethylphenyl)iminomethyl]-6-(2-phenylpropan-2-yl)-4-tritylphenol
CID 137234465
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
CID 171500786
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,4-bis(2-phenylpropan-2-yl)-6-[(2-propan-2-ylphenyl)iminomethyl]phenol
CID 136694058
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol;cobalt(3+);triacetate
CID 173159985
4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol
CID 136790278
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
2-[1-(1-adamantyl)ethyliminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 137234439
2-(2-phenylpropan-2-yl)-6-(pyrrol-1-yliminomethyl)phenol
CID 136503558

Frequently Asked Questions

What is the IUPAC name of 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The IUPAC name of 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol (CID 173494309) is 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol is Cc1cc(C=NI)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol?
The InChIKey is MVMUWSUKVVRIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO/c1-12-9-13(11-19-18)16(20)15(10-12)17(2,3)14-7-5-4-6-8-14/h4-11,20H,1-3H3.
What are the key properties of 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol?
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol has a molecular weight of 379.24 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol is sourced from PubChem (CID 173494309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).