[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate

C11H14INO3 — CID 56596322

IUPAC[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate
SMILESCCC(OC(N)=O)C(O)c1ccccc1I
InChIInChI=1S/C11H14INO3/c1-2-9(16-11(13)15)10(14)7-5-3-4-6-8(7)12/h3-6,9-10,14H,2H2,1H3,(H2,13,15)
InChIKeyPBAPMNNWDJWOQI-UHFFFAOYSA-N
MW335.14 g/mol
LogP2.20
Rot. Bonds4

About [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate

[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate (PubChem CID 56596322) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate.

Molecular Properties

Compound Name[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate
PubChem CID56596322
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC Name[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate
SMILESCCC(OC(N)=O)C(O)c1ccccc1I
InChIInChI=1S/C11H14INO3/c1-2-9(16-11(13)15)10(14)7-5-3-4-6-8(7)12/h3-6,9-10,14H,2H2,1H3,(H2,13,15)
InChIKeyPBAPMNNWDJWOQI-UHFFFAOYSA-N
XLogP2.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-hydroxy-1-(2-methylphenyl)butan-2-yl] carbamate
CID 123953275
[(1S,2S)-1-hydroxy-1-(2-iodophenyl)hexan-2-yl] 2-cyclopropylacetate
CID 159923582
3-(2-iodophenyl)pentanediamide
CID 20546578
[(2S)-1-(2-iodophenyl)-2-(methoxymethoxy)propyl] carbamate
CID 175407160
methyl (2R)-2-hydroxy-2-(2-iodophenyl)acetate
CID 134694409
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
2-(2-iodophenyl)hexanamide
CID 141277814
1-[2-(1-chloropropyl)phenyl]ethyl carbamate
CID 67665336
3-phenylpentan-2-yl carbamate
CID 70616482
2-amino-1-(2-iodophenyl)ethanol
CID 14059960

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate?
The IUPAC name of [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate (CID 56596322) is [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate.
What is the SMILES notation for [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate?
The canonical SMILES for [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate is CCC(OC(N)=O)C(O)c1ccccc1I.
What is the InChIKey of [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate?
The InChIKey is PBAPMNNWDJWOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c1-2-9(16-11(13)15)10(14)7-5-3-4-6-8(7)12/h3-6,9-10,14H,2H2,1H3,(H2,13,15).
What are the key properties of [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate?
[1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate has a molecular weight of 335.14 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(2-iodophenyl)butan-2-yl] carbamate is sourced from PubChem (CID 56596322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).