[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate

C11H14INO2 — CID 151461309

IUPAC[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(I)cc1)OC(N)=O
InChIInChI=1S/C11H14INO2/c1-11(2,15-10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyPINBWERBJVIWTH-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.71
Rot. Bonds3

About [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate

[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate (PubChem CID 151461309) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
PubChem CID151461309
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccc(I)cc1)OC(N)=O
InChIInChI=1S/C11H14INO2/c1-11(2,15-10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyPINBWERBJVIWTH-UHFFFAOYSA-N
XLogP2.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-1-(4-prop-2-ynylphenyl)propan-2-yl] carbamate
CID 150441455
[1-[4-(3-bromopropoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 175277508
[1-[4-[(2-bromoacetyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
CID 151464602
2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
[1-(4-bromophenyl)-2-methylpropan-2-yl] acetate
CID 154708023
ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
CID 131875959
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461
[1-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl] carbamate
CID 151046980
[2-methyl-1-[4-[(5,6,8,9-tetraoxo-1,4-dihydropyrrolo[3,4-g]quinoxalin-7-yl)methyl]phenyl]propan-2-yl] carbamate
CID 150841440
[1-(2-fluoro-4-iodo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151106232
[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151731421

Frequently Asked Questions

What is the IUPAC name of [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate (CID 151461309) is [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccc(I)cc1)OC(N)=O.
What is the InChIKey of [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is PINBWERBJVIWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c1-11(2,15-10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate?
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 319.14 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151461309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).