dibromozinc;1-methoxy-3-methylbenzene

C8H10Br2OZn — CID 174778631

IUPACdibromozinc;1-methoxy-3-methylbenzene
SMILESBr[Zn]Br.COc1cccc(C)c1
InChIInChI=1S/C8H10O.2BrH.Zn/c1-7-4-3-5-8(6-7)9-2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyPWZARHHHZYDUIF-UHFFFAOYSA-L
MW347.37 g/mol
LogP3.69
Rot. Bonds1

About dibromozinc;1-methoxy-3-methylbenzene

dibromozinc;1-methoxy-3-methylbenzene (PubChem CID 174778631) has the molecular formula C8H10Br2OZn and a molecular weight of 347.37 g/mol. Its IUPAC name is dibromozinc;1-methoxy-3-methylbenzene.

Molecular Properties

Compound Namedibromozinc;1-methoxy-3-methylbenzene
PubChem CID174778631
Molecular FormulaC8H10Br2OZn
Molecular Weight347.37 g/mol
Exact Mass343.84
IUPAC Namedibromozinc;1-methoxy-3-methylbenzene
SMILESBr[Zn]Br.COc1cccc(C)c1
InChIInChI=1S/C8H10O.2BrH.Zn/c1-7-4-3-5-8(6-7)9-2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyPWZARHHHZYDUIF-UHFFFAOYSA-L
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
(3-methoxyphenyl)-methyl-(3-methylphenyl)phosphane
CID 148925014
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-deuterio-2-methoxy-4-methylbenzene
CID 59977107
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455

Frequently Asked Questions

What is the IUPAC name of dibromozinc;1-methoxy-3-methylbenzene?
The IUPAC name of dibromozinc;1-methoxy-3-methylbenzene (CID 174778631) is dibromozinc;1-methoxy-3-methylbenzene.
What is the SMILES notation for dibromozinc;1-methoxy-3-methylbenzene?
The canonical SMILES for dibromozinc;1-methoxy-3-methylbenzene is Br[Zn]Br.COc1cccc(C)c1.
What is the InChIKey of dibromozinc;1-methoxy-3-methylbenzene?
The InChIKey is PWZARHHHZYDUIF-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O.2BrH.Zn/c1-7-4-3-5-8(6-7)9-2;;;/h3-6H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dibromozinc;1-methoxy-3-methylbenzene?
dibromozinc;1-methoxy-3-methylbenzene has a molecular weight of 347.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibromozinc;1-methoxy-3-methylbenzene is sourced from PubChem (CID 174778631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).