carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol

C13H10CrO5 — CID 11748515

IUPACcarbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H10O2.3CO.Cr/c1-3-9(11)8-6-4-5-7-10(8)12-2;3*1-2;/h1,4-7,9,11H,2H3;;;;
InChIKeyIGGPGBOKEQAISI-UHFFFAOYSA-N
MW298.21 g/mol
LogP1.25
Rot. Bonds2

About carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol

carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol (PubChem CID 11748515) has the molecular formula C13H10CrO5 and a molecular weight of 298.21 g/mol. Its IUPAC name is carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Namecarbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol
PubChem CID11748515
Molecular FormulaC13H10CrO5
Molecular Weight298.21 g/mol
Exact Mass297.99
IUPAC Namecarbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H10O2.3CO.Cr/c1-3-9(11)8-6-4-5-7-10(8)12-2;3*1-2;/h1,4-7,9,11H,2H3;;;;
InChIKeyIGGPGBOKEQAISI-UHFFFAOYSA-N
XLogP1.25
TPSA89.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-naphthalen-1-ylprop-2-yn-1-ol
CID 12661155
1-chloro-1-(2-methoxyphenyl)propan-2-ol
CID 69345469
1-fluoro-1-(2-methoxyphenyl)propan-2-ol
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CID 53441093

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol?
The IUPAC name of carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol (CID 11748515) is carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol.
What is the SMILES notation for carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol?
The canonical SMILES for carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol is C#CC(O)c1ccccc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol?
The InChIKey is IGGPGBOKEQAISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.3CO.Cr/c1-3-9(11)8-6-4-5-7-10(8)12-2;3*1-2;/h1,4-7,9,11H,2H3;;;;.
What are the key properties of carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol?
carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol has a molecular weight of 298.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;1-(2-methoxyphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 11748515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).