zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide

C14H13BrO2Zn — CID 87388924

IUPACzinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide
SMILESCOc1c[c-]ccc1OCc1ccccc1.[Br-].[Zn+2]
InChIInChI=1S/C14H13O2.BrH.Zn/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12;;/h2-4,6-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPBXNRZVCWCKXRE-UHFFFAOYSA-M
MW358.55 g/mol
LogP0.08
Rot. Bonds4

About zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide

zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide (PubChem CID 87388924) has the molecular formula C14H13BrO2Zn and a molecular weight of 358.55 g/mol. Its IUPAC name is zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide.

Molecular Properties

Compound Namezinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide
PubChem CID87388924
Molecular FormulaC14H13BrO2Zn
Molecular Weight358.55 g/mol
Exact Mass355.94
IUPAC Namezinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide
SMILESCOc1c[c-]ccc1OCc1ccccc1.[Br-].[Zn+2]
InChIInChI=1S/C14H13O2.BrH.Zn/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12;;/h2-4,6-10H,11H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPBXNRZVCWCKXRE-UHFFFAOYSA-M
XLogP0.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
CID 91656298
1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)
CID 20822955
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
3-methoxy-4-phenylmethoxyaniline
CID 27226
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
1-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
1-iodo-4-[(2-methoxyphenoxy)methyl]benzene
CID 65490532
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998

Frequently Asked Questions

What is the IUPAC name of zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide?
The IUPAC name of zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide (CID 87388924) is zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide.
What is the SMILES notation for zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide?
The canonical SMILES for zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide is COc1c[c-]ccc1OCc1ccccc1.[Br-].[Zn+2].
What is the InChIKey of zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide?
The InChIKey is PBXNRZVCWCKXRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13O2.BrH.Zn/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12;;/h2-4,6-10H,11H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide?
zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide has a molecular weight of 358.55 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide is sourced from PubChem (CID 87388924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).