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

C14H15BrO — CID 63443544

IUPAC2-[bromo-(4-propan-2-ylphenyl)methyl]furan
SMILESCC(C)c1ccc(C(Br)c2ccco2)cc1
InChIInChI=1S/C14H15BrO/c1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13/h3-10,14H,1-2H3
InChIKeyPTYKUSRKGJEKRC-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.89
Rot. Bonds3

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

2-[bromo-(4-propan-2-ylphenyl)methyl]furan (PubChem CID 63443544) has the molecular formula C14H15BrO and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-[bromo-(4-propan-2-ylphenyl)methyl]furan.

Molecular Properties

Compound Name2-[bromo-(4-propan-2-ylphenyl)methyl]furan
PubChem CID63443544
Molecular FormulaC14H15BrO
Molecular Weight279.18 g/mol
Exact Mass278.03
IUPAC Name2-[bromo-(4-propan-2-ylphenyl)methyl]furan
SMILESCC(C)c1ccc(C(Br)c2ccco2)cc1
InChIInChI=1S/C14H15BrO/c1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13/h3-10,14H,1-2H3
InChIKeyPTYKUSRKGJEKRC-UHFFFAOYSA-N
XLogP4.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.89
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-[bromo(furan-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 55053977
2-[1-(4-chlorophenyl)ethyl]furan
CID 21387728
[(S)-furan-2-yl-(4-propan-2-ylphenyl)methyl] acetate
CID 166439605
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran
CID 157401311
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan
CID 100992434
2-[bromo(thiophen-2-yl)methyl]furan
CID 61098713
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
6-[bromo(furan-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 61098364
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-propan-2-ylphenyl)methyl]furan?
The IUPAC name of 2-[bromo-(4-propan-2-ylphenyl)methyl]furan (CID 63443544) is 2-[bromo-(4-propan-2-ylphenyl)methyl]furan.
What is the SMILES notation for 2-[bromo-(4-propan-2-ylphenyl)methyl]furan?
The canonical SMILES for 2-[bromo-(4-propan-2-ylphenyl)methyl]furan is CC(C)c1ccc(C(Br)c2ccco2)cc1.
What is the InChIKey of 2-[bromo-(4-propan-2-ylphenyl)methyl]furan?
The InChIKey is PTYKUSRKGJEKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO/c1-10(2)11-5-7-12(8-6-11)14(15)13-4-3-9-16-13/h3-10,14H,1-2H3.
What are the key properties of 2-[bromo-(4-propan-2-ylphenyl)methyl]furan?
2-[bromo-(4-propan-2-ylphenyl)methyl]furan has a molecular weight of 279.18 g/mol, XLogP of 4.89, 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]furan is sourced from PubChem (CID 63443544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).