2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran

C18H23BrO — CID 63439761

IUPAC2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran
SMILESCc1ccoc1C(Br)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H23BrO/c1-11(2)14-6-7-15(16(10-14)12(3)4)17(19)18-13(5)8-9-20-18/h6-12,17H,1-5H3
InChIKeyPJGFBFYIRABGAF-UHFFFAOYSA-N
MW335.29 g/mol
LogP6.32
Rot. Bonds4

About 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran

2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran (PubChem CID 63439761) has the molecular formula C18H23BrO and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran
PubChem CID63439761
Molecular FormulaC18H23BrO
Molecular Weight335.29 g/mol
Exact Mass334.09
IUPAC Name2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran
SMILESCc1ccoc1C(Br)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H23BrO/c1-11(2)14-6-7-15(16(10-14)12(3)4)17(19)18-13(5)8-9-20-18/h6-12,17H,1-5H3
InChIKeyPJGFBFYIRABGAF-UHFFFAOYSA-N
XLogP6.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.29
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2-methylfuran
CID 63431355
2-[bromo-(4-bromonaphthalen-1-yl)methyl]-3-methylfuran
CID 79597785
2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran
CID 63439439
2-[bromo-(6-methoxynaphthalen-2-yl)methyl]-3-methylfuran
CID 63444447
2-[bromo-(2,5-dimethoxyphenyl)methyl]-3-methylfuran
CID 61096479
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
7-bromo-8-[bromo-(3-methylfuran-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63441682
[2,4-di(propan-2-yl)phenyl]-(5-methylfuran-3-yl)methanamine
CID 114819810
2-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-3-methylfuran
CID 102765077
(2,5-dimethylfuran-3-yl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43464318
1-(1-bromo-3-methylpentyl)-2,4-di(propan-2-yl)benzene
CID 114876117
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 43480129

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran?
The IUPAC name of 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran (CID 63439761) is 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran.
What is the SMILES notation for 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran?
The canonical SMILES for 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran is Cc1ccoc1C(Br)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran?
The InChIKey is PJGFBFYIRABGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrO/c1-11(2)14-6-7-15(16(10-14)12(3)4)17(19)18-13(5)8-9-20-18/h6-12,17H,1-5H3.
What are the key properties of 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran?
2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran has a molecular weight of 335.29 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-[2,4-di(propan-2-yl)phenyl]methyl]-3-methylfuran is sourced from PubChem (CID 63439761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).