bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene

C16H17BrOZn — CID 146002177

IUPACbromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1OCc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C16H17O.BrH.Zn/c1-13(2)15-10-6-7-11-16(15)17-12-14-8-4-3-5-9-14;;/h3-8,10-11,13H,12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyVIVVETOETVNZAR-UHFFFAOYSA-M
MW370.61 g/mol
LogP5.03
Rot. Bonds4

About bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene

bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene (PubChem CID 146002177) has the molecular formula C16H17BrOZn and a molecular weight of 370.61 g/mol. Its IUPAC name is bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene.

Molecular Properties

Compound Namebromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene
PubChem CID146002177
Molecular FormulaC16H17BrOZn
Molecular Weight370.61 g/mol
Exact Mass367.98
IUPAC Namebromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene
SMILESCC(C)c1ccccc1OCc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C16H17O.BrH.Zn/c1-13(2)15-10-6-7-11-16(15)17-12-14-8-4-3-5-9-14;;/h3-8,10-11,13H,12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyVIVVETOETVNZAR-UHFFFAOYSA-M
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.03
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

bromozinc(1+);1-methyl-2-(phenylmethoxy)benzene
CID 146001747
bromozinc(1+);1-methoxy-4-(phenylmethoxy)benzene
CID 146002183
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-iodo-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 65491120
4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
CID 82169635
3-bromo-2-[(2-propan-2-ylphenoxy)methyl]thiophene
CID 63459035
1-octoxy-2-propan-2-ylbenzene
CID 64765685
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
1-methyl-5-[(2-propan-2-ylphenoxy)methyl]imidazole
CID 66142372
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene?
The IUPAC name of bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene (CID 146002177) is bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene.
What is the SMILES notation for bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene?
The canonical SMILES for bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene is CC(C)c1ccccc1OCc1[c-]cccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene?
The InChIKey is VIVVETOETVNZAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17O.BrH.Zn/c1-13(2)15-10-6-7-11-16(15)17-12-14-8-4-3-5-9-14;;/h3-8,10-11,13H,12H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene?
bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene has a molecular weight of 370.61 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-(phenylmethoxy)-2-propan-2-ylbenzene is sourced from PubChem (CID 146002177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).