chlorozinc(1+);prop-2-ynoxymethylbenzene

C10H9ClOZn — CID 134895019

IUPACchlorozinc(1+);prop-2-ynoxymethylbenzene
SMILESCl[Zn+].[C-]#CCOCc1ccccc1
InChIInChI=1S/C10H9O.ClH.Zn/c1-2-8-11-9-10-6-4-3-5-7-10;;/h3-7H,8-9H2;1H;/q-1;;+2/p-1
InChIKeyZBLUTWPSGWYWRL-UHFFFAOYSA-M
MW246.02 g/mol
LogP2.48
Rot. Bonds3

About chlorozinc(1+);prop-2-ynoxymethylbenzene

chlorozinc(1+);prop-2-ynoxymethylbenzene (PubChem CID 134895019) has the molecular formula C10H9ClOZn and a molecular weight of 246.02 g/mol. Its IUPAC name is chlorozinc(1+);prop-2-ynoxymethylbenzene.

Molecular Properties

Compound Namechlorozinc(1+);prop-2-ynoxymethylbenzene
PubChem CID134895019
Molecular FormulaC10H9ClOZn
Molecular Weight246.02 g/mol
Exact Mass243.96
IUPAC Namechlorozinc(1+);prop-2-ynoxymethylbenzene
SMILESCl[Zn+].[C-]#CCOCc1ccccc1
InChIInChI=1S/C10H9O.ClH.Zn/c1-2-8-11-9-10-6-4-3-5-7-10;;/h3-7H,8-9H2;1H;/q-1;;+2/p-1
InChIKeyZBLUTWPSGWYWRL-UHFFFAOYSA-M
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-phenylmethoxyhepta-2,5-diynoxymethylbenzene
CID 10930944
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
CID 66734377
CID 66734377
ethane;phenylmethoxymethylbenzene
CID 90943549
lithium (2S)-1-phenylmethoxypent-4-yn-2-ol
CID 134893563
(213C)ethoxymethylbenzene
CID 87947851
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
carbon monoxide;cobalt;7-methoxyhepta-2,5-diynoxymethylbenzene
CID 11251355
3-(benzenesulfonyl)prop-2-ynoxymethylbenzene
CID 10902209
6-phenylmethoxyhex-4-yne-1,2-diol
CID 56646910
1-chloro-4-phenylmethoxybutane-2,3-dione
CID 87706836

Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);prop-2-ynoxymethylbenzene?
The IUPAC name of chlorozinc(1+);prop-2-ynoxymethylbenzene (CID 134895019) is chlorozinc(1+);prop-2-ynoxymethylbenzene.
What is the SMILES notation for chlorozinc(1+);prop-2-ynoxymethylbenzene?
The canonical SMILES for chlorozinc(1+);prop-2-ynoxymethylbenzene is Cl[Zn+].[C-]#CCOCc1ccccc1.
What is the InChIKey of chlorozinc(1+);prop-2-ynoxymethylbenzene?
The InChIKey is ZBLUTWPSGWYWRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9O.ClH.Zn/c1-2-8-11-9-10-6-4-3-5-7-10;;/h3-7H,8-9H2;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);prop-2-ynoxymethylbenzene?
chlorozinc(1+);prop-2-ynoxymethylbenzene has a molecular weight of 246.02 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);prop-2-ynoxymethylbenzene is sourced from PubChem (CID 134895019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).