bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene

C17H19BrOZn — CID 146002157

IUPACbromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
SMILESCC(C)(C)c1ccc(OCc2cc[c-]cc2)cc1.[Zn+]Br
InChIInChI=1S/C17H19O.BrH.Zn/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;;/h5-12H,13H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyGGZHEVJKJIZUCK-UHFFFAOYSA-M
MW384.63 g/mol
LogP5.21
Rot. Bonds3

About bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene

bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene (PubChem CID 146002157) has the molecular formula C17H19BrOZn and a molecular weight of 384.63 g/mol. Its IUPAC name is bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene.

Molecular Properties

Compound Namebromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
PubChem CID146002157
Molecular FormulaC17H19BrOZn
Molecular Weight384.63 g/mol
Exact Mass381.99
IUPAC Namebromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
SMILESCC(C)(C)c1ccc(OCc2cc[c-]cc2)cc1.[Zn+]Br
InChIInChI=1S/C17H19O.BrH.Zn/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;;/h5-12H,13H2,1-3H3;1H;/q-1;;+2/p-1
InChIKeyGGZHEVJKJIZUCK-UHFFFAOYSA-M
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene
CID 146002159
bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene
CID 146001900
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
4-[(4-tert-butylphenyl)methoxy]-2-chloroaniline
CID 63404633
2-bromo-5-[(4-tert-butylphenoxy)methyl]aniline
CID 115557439
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
bromozinc(1+);1-methyl-4-(phenylmethoxy)benzene
CID 146001821
[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol
CID 143948500

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene?
The IUPAC name of bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene (CID 146002157) is bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene.
What is the SMILES notation for bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene?
The canonical SMILES for bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene is CC(C)(C)c1ccc(OCc2cc[c-]cc2)cc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene?
The InChIKey is GGZHEVJKJIZUCK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H19O.BrH.Zn/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14;;/h5-12H,13H2,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene?
bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene has a molecular weight of 384.63 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-tert-butyl-4-(phenylmethoxy)benzene is sourced from PubChem (CID 146002157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).