1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene

C17H19BrO — CID 75365477

IUPAC1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2ccccc2CBr)cc1
InChIInChI=1S/C17H19BrO/c1-17(2,3)14-8-10-15(11-9-14)19-16-7-5-4-6-13(16)12-18/h4-11H,12H2,1-3H3
InChIKeyUHLUKGMICGQSIF-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.67
Rot. Bonds3

About 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene

1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene (PubChem CID 75365477) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
PubChem CID75365477
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene
SMILESCC(C)(C)c1ccc(Oc2ccccc2CBr)cc1
InChIInChI=1S/C17H19BrO/c1-17(2,3)14-8-10-15(11-9-14)19-16-7-5-4-6-13(16)12-18/h4-11H,12H2,1-3H3
InChIKeyUHLUKGMICGQSIF-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.67
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

1,4-bis(bromomethyl)-2,5-bis(4-tert-butylphenoxy)benzene
CID 100945891
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-(bromomethyl)-2-(4-iodophenoxy)benzene
CID 107087507
2-(4-tert-butylphenoxy)aniline
CID 26189124
1-[2-(4-tert-butylphenoxy)phenyl]ethanol
CID 43510250
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
4-[2-(bromomethyl)phenoxy]-1-chloro-2-methylbenzene
CID 107086359
2-bromo-1-(bromomethyl)-4-(2-ethylphenoxy)benzene
CID 114060623
4-(bromomethyl)-1-(4-tert-butylphenoxy)-2-chlorobenzene
CID 107086858
1-[2-(4-tert-butylphenoxy)phenyl]ethane-1,2-diamine
CID 170894598
2-(4-tert-butylphenoxy)benzoate
CID 22015143
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene?
The IUPAC name of 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene (CID 75365477) is 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene is CC(C)(C)c1ccc(Oc2ccccc2CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene?
The InChIKey is UHLUKGMICGQSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-17(2,3)14-8-10-15(11-9-14)19-16-7-5-4-6-13(16)12-18/h4-11H,12H2,1-3H3.
What are the key properties of 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene?
1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene has a molecular weight of 319.24 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(4-tert-butylphenoxy)benzene is sourced from PubChem (CID 75365477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).