carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium

C14H9ClCrO5 — CID 11013373

IUPACcarbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium
SMILESO=C1C=COC(c2ccccc2Cl)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C11H9ClO2.3CO.Cr/c12-10-4-2-1-3-9(10)11-7-8(13)5-6-14-11;3*1-2;/h1-6,11H,7H2;;;;
InChIKeyCEKHIYYCPOASKH-UHFFFAOYSA-N
MW344.67 g/mol
LogP2.77
Rot. Bonds1

About carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium

carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium (PubChem CID 11013373) has the molecular formula C14H9ClCrO5 and a molecular weight of 344.67 g/mol. Its IUPAC name is carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium.

Molecular Properties

Compound Namecarbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium
PubChem CID11013373
Molecular FormulaC14H9ClCrO5
Molecular Weight344.67 g/mol
Exact Mass343.95
IUPAC Namecarbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium
SMILESO=C1C=COC(c2ccccc2Cl)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C11H9ClO2.3CO.Cr/c12-10-4-2-1-3-9(10)11-7-8(13)5-6-14-11;3*1-2;/h1-6,11H,7H2;;;;
InChIKeyCEKHIYYCPOASKH-UHFFFAOYSA-N
XLogP2.77
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.67
LogP ≤ 52.77
H-Bond Donors ≤ 50
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'}

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Related Compounds

(2R)-2-(4-chlorophenyl)-2,3-dihydropyran-4-one
CID 10987505
(2R)-2-(2-chlorophenyl)-2,3-dihydrofuran
CID 139822422
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
2-(3-cyclopropylphenyl)-2,3-dihydropyran-4-one
CID 79977331
6-(2-chlorophenyl)morpholin-3-one
CID 117159215
5-(2-chlorophenyl)-3-sulfanyloxolan-2-one
CID 135040364
5-(2-chlorophenyl)-1,3-oxazolidin-2-one;2-methylpropane
CID 158731739
carbon monoxide;chromium;1,2-dichlorobenzene
CID 10924039
2-(2-chlorophenyl)-4,7-dihydro-1,3-dioxepine
CID 12562262
(5S)-3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one
CID 11287482
2-(1,5-dimethylpyrazol-4-yl)-2,3-dihydropyran-4-one
CID 79583873
4-(2-chlorophenyl)oxolan-2-one
CID 12862869

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium?
The IUPAC name of carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium (CID 11013373) is carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium.
What is the SMILES notation for carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium?
The canonical SMILES for carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium is O=C1C=COC(c2ccccc2Cl)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium?
The InChIKey is CEKHIYYCPOASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2.3CO.Cr/c12-10-4-2-1-3-9(10)11-7-8(13)5-6-14-11;3*1-2;/h1-6,11H,7H2;;;;.
What are the key properties of carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium?
carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium has a molecular weight of 344.67 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-(2-chlorophenyl)-2,3-dihydropyran-4-one;chromium is sourced from PubChem (CID 11013373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).