(2R)-2-(1-bromo-3-phenylpropyl)oxolane

C13H17BrO — CID 139247608

IUPAC(2R)-2-(1-bromo-3-phenylpropyl)oxolane
SMILESBrC(CCc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C13H17BrO/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12?,13-/m1/s1
InChIKeyIEGJMQOFOCOSOM-ZGTCLIOFSA-N
MW269.18 g/mol
LogP3.56
Rot. Bonds4

About (2R)-2-(1-bromo-3-phenylpropyl)oxolane

(2R)-2-(1-bromo-3-phenylpropyl)oxolane (PubChem CID 139247608) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is (2R)-2-(1-bromo-3-phenylpropyl)oxolane.

Molecular Properties

Compound Name(2R)-2-(1-bromo-3-phenylpropyl)oxolane
PubChem CID139247608
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name(2R)-2-(1-bromo-3-phenylpropyl)oxolane
SMILESBrC(CCc1ccccc1)[C@H]1CCCO1
InChIInChI=1S/C13H17BrO/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12?,13-/m1/s1
InChIKeyIEGJMQOFOCOSOM-ZGTCLIOFSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane
CID 11461659
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
N-[(1R)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]propan-2-amine
CID 125486098
N-[(1S)-1-[(2S)-oxolan-2-yl]-2-phenylethyl]cyclopropanamine
CID 125485962
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929660
2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane
CID 14114884
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-bromo-3-phenylpropyl)oxolane?
The IUPAC name of (2R)-2-(1-bromo-3-phenylpropyl)oxolane (CID 139247608) is (2R)-2-(1-bromo-3-phenylpropyl)oxolane.
What is the SMILES notation for (2R)-2-(1-bromo-3-phenylpropyl)oxolane?
The canonical SMILES for (2R)-2-(1-bromo-3-phenylpropyl)oxolane is BrC(CCc1ccccc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-2-(1-bromo-3-phenylpropyl)oxolane?
The InChIKey is IEGJMQOFOCOSOM-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H17BrO/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12?,13-/m1/s1.
What are the key properties of (2R)-2-(1-bromo-3-phenylpropyl)oxolane?
(2R)-2-(1-bromo-3-phenylpropyl)oxolane has a molecular weight of 269.18 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-bromo-3-phenylpropyl)oxolane is sourced from PubChem (CID 139247608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).