acetaldehyde;phenylmethanol;zinc;hydrobromide

C9H12BrO2Zn- — CID 139511848

IUPACacetaldehyde;phenylmethanol;zinc;hydrobromide
SMILESBr.OCc1ccccc1.[CH2-]C=O.[Zn]
InChIInChI=1S/C7H8O.C2H3O.BrH.Zn/c8-6-7-4-2-1-3-5-7;1-2-3;;/h1-5,8H,6H2;2H,1H2;1H;/q;-1;;
InChIKeyGTJWNFFUTQCTOK-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.77
Rot. Bonds1

About acetaldehyde;phenylmethanol;zinc;hydrobromide

acetaldehyde;phenylmethanol;zinc;hydrobromide (PubChem CID 139511848) has the molecular formula C9H12BrO2Zn- and a molecular weight of 297.49 g/mol. Its IUPAC name is acetaldehyde;phenylmethanol;zinc;hydrobromide.

Molecular Properties

Compound Nameacetaldehyde;phenylmethanol;zinc;hydrobromide
PubChem CID139511848
Molecular FormulaC9H12BrO2Zn-
Molecular Weight297.49 g/mol
Exact Mass294.93
IUPAC Nameacetaldehyde;phenylmethanol;zinc;hydrobromide
SMILESBr.OCc1ccccc1.[CH2-]C=O.[Zn]
InChIInChI=1S/C7H8O.C2H3O.BrH.Zn/c8-6-7-4-2-1-3-5-7;1-2-3;;/h1-5,8H,6H2;2H,1H2;1H;/q;-1;;
InChIKeyGTJWNFFUTQCTOK-UHFFFAOYSA-N
XLogP1.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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phenylmethanol;zirconium
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phenylmethanol;titanium;dihydrochloride
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CID 19822462
disodium;hydride;phenylmethanol
CID 174792747
ethane-1,2-diol;phenylmethanol
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CID 158888584
azane;phenylmethanol;hydrochloride
CID 173141367

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;phenylmethanol;zinc;hydrobromide?
The IUPAC name of acetaldehyde;phenylmethanol;zinc;hydrobromide (CID 139511848) is acetaldehyde;phenylmethanol;zinc;hydrobromide.
What is the SMILES notation for acetaldehyde;phenylmethanol;zinc;hydrobromide?
The canonical SMILES for acetaldehyde;phenylmethanol;zinc;hydrobromide is Br.OCc1ccccc1.[CH2-]C=O.[Zn].
What is the InChIKey of acetaldehyde;phenylmethanol;zinc;hydrobromide?
The InChIKey is GTJWNFFUTQCTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H3O.BrH.Zn/c8-6-7-4-2-1-3-5-7;1-2-3;;/h1-5,8H,6H2;2H,1H2;1H;/q;-1;;.
What are the key properties of acetaldehyde;phenylmethanol;zinc;hydrobromide?
acetaldehyde;phenylmethanol;zinc;hydrobromide has a molecular weight of 297.49 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;phenylmethanol;zinc;hydrobromide is sourced from PubChem (CID 139511848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).