(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane

C14H19IO — CID 11461659

IUPAC(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane
SMILESI[C@H](CCCc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C14H19IO/c15-13(14-10-5-11-16-14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14-/m1/s1
InChIKeyWAEHTTRWKIPBLQ-ZIAGYGMSSA-N
MW330.21 g/mol
LogP3.99
Rot. Bonds5

About (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane

(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane (PubChem CID 11461659) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane
PubChem CID11461659
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane
SMILESI[C@H](CCCc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C14H19IO/c15-13(14-10-5-11-16-14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14-/m1/s1
InChIKeyWAEHTTRWKIPBLQ-ZIAGYGMSSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.99
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)-2-(1-bromo-3-phenylpropyl)oxolane
CID 139247608
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
[3-(cyclohexylmethyl)-6-phenylhexyl]benzene
CID 173252623
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
2-[chloro(phenyl)methyl]oxolane
CID 11084790
2-[12-[11-(oxolan-2-yl)-12-phenyldodecyl]sulfanyl-1-phenyldodecan-2-yl]oxolane
CID 70456874
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane?
The IUPAC name of (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane (CID 11461659) is (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane.
What is the SMILES notation for (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane?
The canonical SMILES for (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane is I[C@H](CCCc1ccccc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane?
The InChIKey is WAEHTTRWKIPBLQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19IO/c15-13(14-10-5-11-16-14)9-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2/t13-,14-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane?
(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane has a molecular weight of 330.21 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane is sourced from PubChem (CID 11461659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).