(2-iodo-1-pentan-2-yloxyethyl)benzene

C13H19IO — CID 102984475

IUPAC(2-iodo-1-pentan-2-yloxyethyl)benzene
SMILESCCCC(C)OC(CI)c1ccccc1
InChIInChI=1S/C13H19IO/c1-3-7-11(2)15-13(10-14)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3
InChIKeyBEFCJGHIUHUOMH-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.37
Rot. Bonds6

About (2-iodo-1-pentan-2-yloxyethyl)benzene

(2-iodo-1-pentan-2-yloxyethyl)benzene (PubChem CID 102984475) has the molecular formula C13H19IO and a molecular weight of 318.20 g/mol. Its IUPAC name is (2-iodo-1-pentan-2-yloxyethyl)benzene.

Molecular Properties

Compound Name(2-iodo-1-pentan-2-yloxyethyl)benzene
PubChem CID102984475
Molecular FormulaC13H19IO
Molecular Weight318.20 g/mol
Exact Mass318.05
IUPAC Name(2-iodo-1-pentan-2-yloxyethyl)benzene
SMILESCCCC(C)OC(CI)c1ccccc1
InChIInChI=1S/C13H19IO/c1-3-7-11(2)15-13(10-14)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3
InChIKeyBEFCJGHIUHUOMH-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.37
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

[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
CID 139248421
[2-iodo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]benzene
CID 114774573
1-fluoro-4-[2-iodo-1-(1-phenylethoxy)ethyl]benzene
CID 114772880
1-decan-2-yloxyethylbenzene
CID 102455455
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
pentan-2-ylbenzene
CID 17627
(2R)-N-[(2R)-2-butan-2-yloxy-2-phenylethyl]-2-methoxy-N-[(2R)-2-methoxy-2-phenylethyl]-2-phenylethanamine
CID 146564671
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
triethyl-(5-phenyl-5-undecan-2-yloxypentoxy)silane
CID 102278322
2-[2-(1-phenylhexoxy)propyl]phenol
CID 67181005
1-(2-bromo-1-pentan-2-yloxyethyl)-2-methoxybenzene
CID 102984547
N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077

Frequently Asked Questions

What is the IUPAC name of (2-iodo-1-pentan-2-yloxyethyl)benzene?
The IUPAC name of (2-iodo-1-pentan-2-yloxyethyl)benzene (CID 102984475) is (2-iodo-1-pentan-2-yloxyethyl)benzene.
What is the SMILES notation for (2-iodo-1-pentan-2-yloxyethyl)benzene?
The canonical SMILES for (2-iodo-1-pentan-2-yloxyethyl)benzene is CCCC(C)OC(CI)c1ccccc1.
What is the InChIKey of (2-iodo-1-pentan-2-yloxyethyl)benzene?
The InChIKey is BEFCJGHIUHUOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IO/c1-3-7-11(2)15-13(10-14)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3.
What are the key properties of (2-iodo-1-pentan-2-yloxyethyl)benzene?
(2-iodo-1-pentan-2-yloxyethyl)benzene has a molecular weight of 318.20 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-1-pentan-2-yloxyethyl)benzene is sourced from PubChem (CID 102984475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).