2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane

C14H19BrO — CID 61098410

IUPAC2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
SMILESCC(C)c1ccc(C(Br)C2CCCO2)cc1
InChIInChI=1S/C14H19BrO/c1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyBPUMLOFTJBYDLL-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.43
Rot. Bonds3

About 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane

2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane (PubChem CID 61098410) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
PubChem CID61098410
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane
SMILESCC(C)c1ccc(C(Br)C2CCCO2)cc1
InChIInChI=1S/C14H19BrO/c1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyBPUMLOFTJBYDLL-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.43
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

2-[bromo-[4-(2-methoxyethyl)phenyl]methyl]oxolane
CID 61097079
2-[bromo-(4-cyclohexylphenyl)methyl]oxane
CID 63440343
2-[bromo-(3,4-dimethylphenyl)methyl]oxane
CID 62212675
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]oxolane
CID 61085309
4-[(4-aminophenyl)-(oxolan-2-yl)methyl]aniline
CID 170327172
5-[bromo(oxolan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096710
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
5-[bromo(oxan-2-yl)methyl]-1,3-dihydro-2-benzofuran
CID 63019928
2-[bromo-(5-chlorothiophen-2-yl)methyl]oxolane
CID 61096141
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]oxolane
CID 63431574
2-[bromo-(2,4-dimethylphenyl)methyl]oxolane
CID 61097286
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane?
The IUPAC name of 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane (CID 61098410) is 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane.
What is the SMILES notation for 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane?
The canonical SMILES for 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane is CC(C)c1ccc(C(Br)C2CCCO2)cc1.
What is the InChIKey of 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane?
The InChIKey is BPUMLOFTJBYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13/h5-8,10,13-14H,3-4,9H2,1-2H3.
What are the key properties of 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane?
2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane has a molecular weight of 283.21 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-propan-2-ylphenyl)methyl]oxolane is sourced from PubChem (CID 61098410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).