5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane

C15H21BrO — CID 116525226

IUPAC5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CBr)c2ccccc2)O1
InChIInChI=1S/C15H21BrO/c1-15(2)9-8-14(17-15)10-13(11-16)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3
InChIKeyZWHUGZYQYVXCEA-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.51
Rot. Bonds4

About 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane

5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane (PubChem CID 116525226) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane
PubChem CID116525226
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane
SMILESCC1(C)CCC(CC(CBr)c2ccccc2)O1
InChIInChI=1S/C15H21BrO/c1-15(2)9-8-14(17-15)10-13(11-16)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3
InChIKeyZWHUGZYQYVXCEA-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.51
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

5-[3-bromo-2-(2-fluorophenyl)propyl]-2,2-dimethyloxolane
CID 116525249
2-(2-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-1-amine
CID 116523793
5-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-2,2-dimethyloxolane
CID 116525233
2-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]phenol
CID 116523197
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
5-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,2-dimethyloxolane
CID 116525232
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
5-[2-(bromomethyl)-3-(3-methoxyphenyl)propyl]-2,2-dimethyloxolane
CID 116525234
3-(5,5-dimethyloxolan-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104889539
1-(4-bromophenyl)-3-(5,5-dimethyloxolan-2-yl)propan-2-amine
CID 116524948
1-(3-bromo-2-phenylpropyl)-2,2-dimethylpyrrolidine
CID 65015121
(5S)-2,2-dimethyl-5-[(E,1S)-1-phenylbut-2-enyl]oxolane
CID 101378535

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane?
The IUPAC name of 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane (CID 116525226) is 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane.
What is the SMILES notation for 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane?
The canonical SMILES for 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane is CC1(C)CCC(CC(CBr)c2ccccc2)O1.
What is the InChIKey of 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane?
The InChIKey is ZWHUGZYQYVXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-15(2)9-8-14(17-15)10-13(11-16)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3.
What are the key properties of 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane?
5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane has a molecular weight of 297.24 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-phenylpropyl)-2,2-dimethyloxolane is sourced from PubChem (CID 116525226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).