[(2R)-3-iodo-2-methylpropoxy]methylbenzene

C11H15IO — CID 10334380

IUPAC[(2R)-3-iodo-2-methylpropoxy]methylbenzene
SMILESC[C@@H](CI)COCc1ccccc1
InChIInChI=1S/C11H15IO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1
InChIKeyWBUOZBRLZGYUAV-JTQLQIEISA-N
MW290.14 g/mol
LogP3.27
Rot. Bonds5

About [(2R)-3-iodo-2-methylpropoxy]methylbenzene

[(2R)-3-iodo-2-methylpropoxy]methylbenzene (PubChem CID 10334380) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is [(2R)-3-iodo-2-methylpropoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-3-iodo-2-methylpropoxy]methylbenzene
PubChem CID10334380
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name[(2R)-3-iodo-2-methylpropoxy]methylbenzene
SMILESC[C@@H](CI)COCc1ccccc1
InChIInChI=1S/C11H15IO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1
InChIKeyWBUOZBRLZGYUAV-JTQLQIEISA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
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(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
CID 89311949
CID 89311949
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
(3-methyl-4-phenylmethoxybutan-2-yl)oxymethylbenzene
CID 90923147
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-iodo-2-methylpropoxy]methylbenzene?
The IUPAC name of [(2R)-3-iodo-2-methylpropoxy]methylbenzene (CID 10334380) is [(2R)-3-iodo-2-methylpropoxy]methylbenzene.
What is the SMILES notation for [(2R)-3-iodo-2-methylpropoxy]methylbenzene?
The canonical SMILES for [(2R)-3-iodo-2-methylpropoxy]methylbenzene is C[C@@H](CI)COCc1ccccc1.
What is the InChIKey of [(2R)-3-iodo-2-methylpropoxy]methylbenzene?
The InChIKey is WBUOZBRLZGYUAV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15IO/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of [(2R)-3-iodo-2-methylpropoxy]methylbenzene?
[(2R)-3-iodo-2-methylpropoxy]methylbenzene has a molecular weight of 290.14 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-iodo-2-methylpropoxy]methylbenzene is sourced from PubChem (CID 10334380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).