[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene

C13H17IO — CID 42611473

IUPAC[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
SMILESC=CC[C@@H](CI)COCc1ccccc1
InChIInChI=1S/C13H17IO/c1-2-6-13(9-14)11-15-10-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2/t13-/m0/s1
InChIKeyJLEZDFZBLHSIJG-ZDUSSCGKSA-N
MW316.18 g/mol
LogP3.83
Rot. Bonds7

About [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene

[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene (PubChem CID 42611473) has the molecular formula C13H17IO and a molecular weight of 316.18 g/mol. Its IUPAC name is [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
PubChem CID42611473
Molecular FormulaC13H17IO
Molecular Weight316.18 g/mol
Exact Mass316.03
IUPAC Name[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
SMILESC=CC[C@@H](CI)COCc1ccccc1
InChIInChI=1S/C13H17IO/c1-2-6-13(9-14)11-15-10-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2/t13-/m0/s1
InChIKeyJLEZDFZBLHSIJG-ZDUSSCGKSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.83
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
1-phenylmethoxypent-4-en-2-ylhydrazine
CID 131026578
[(2R)-2-(octadecoxymethyl)pent-4-enoxy]methylbenzene;(2R)-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 163839526
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
(2R,3S)-4-phenylmethoxy-2-prop-2-enylbutane-1,3-diol
CID 13355189
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
4-(bromomethyl)hept-6-enoxymethylbenzene
CID 131093267
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
N-[3-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxypropyl]hydroxylamine
CID 166843275
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
(2S,3S)-N-benzyl-1,2-bis(phenylmethoxy)hex-5-en-3-amine
CID 101218139
N-methyl-2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyethanimine
CID 144540879

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene?
The IUPAC name of [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene (CID 42611473) is [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene.
What is the SMILES notation for [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene?
The canonical SMILES for [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene is C=CC[C@@H](CI)COCc1ccccc1.
What is the InChIKey of [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene?
The InChIKey is JLEZDFZBLHSIJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17IO/c1-2-6-13(9-14)11-15-10-12-7-4-3-5-8-12/h2-5,7-8,13H,1,6,9-11H2/t13-/m0/s1.
What are the key properties of [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene?
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene has a molecular weight of 316.18 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene is sourced from PubChem (CID 42611473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).