[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite

C12H15IO2 — CID 139310380

IUPAC[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite
SMILESCOc1cccc([C@@H](C)C2CC2)c1OI
InChIInChI=1S/C12H15IO2/c1-8(9-6-7-9)10-4-3-5-11(14-2)12(10)15-13/h3-5,8-9H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyKWQJNHJCGIJUEB-QMMMGPOBSA-N
MW318.15 g/mol
LogP3.94
Rot. Bonds4

About [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite

[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite (PubChem CID 139310380) has the molecular formula C12H15IO2 and a molecular weight of 318.15 g/mol. Its IUPAC name is [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite.

Molecular Properties

Compound Name[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite
PubChem CID139310380
Molecular FormulaC12H15IO2
Molecular Weight318.15 g/mol
Exact Mass318.01
IUPAC Name[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite
SMILESCOc1cccc([C@@H](C)C2CC2)c1OI
InChIInChI=1S/C12H15IO2/c1-8(9-6-7-9)10-4-3-5-11(14-2)12(10)15-13/h3-5,8-9H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyKWQJNHJCGIJUEB-QMMMGPOBSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene
CID 118911595
2-cyclopropyl-2-(2,3-dimethoxyphenyl)acetonitrile
CID 83689906
1-butan-2-yl-3-(1-cyclopropylethyl)-2-methoxybenzene;ethane
CID 144742858
1-(1-cyclopropylethyl)-3-(1,2-dimethylcyclopropyl)-2-methoxybenzene
CID 118911669
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
CID 130323975
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
1-[cyclohexyl-(2-methoxyphenyl)methyl]-2-methoxybenzene
CID 70442414
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790

Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite?
The IUPAC name of [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite (CID 139310380) is [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite.
What is the SMILES notation for [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite?
The canonical SMILES for [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite is COc1cccc([C@@H](C)C2CC2)c1OI.
What is the InChIKey of [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite?
The InChIKey is KWQJNHJCGIJUEB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15IO2/c1-8(9-6-7-9)10-4-3-5-11(14-2)12(10)15-13/h3-5,8-9H,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite?
[2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite has a molecular weight of 318.15 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-cyclopropylethyl]-6-methoxyphenyl] hypoiodite is sourced from PubChem (CID 139310380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).