carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one

C14H10CrO6 — CID 134874383

IUPACcarbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one
SMILESCC(=C=O)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H10O2.4CO.Cr/c1-9(7-11)12-8-10-5-3-2-4-6-10;4*1-2;/h2-6H,8H2,1H3;;;;;
InChIKeyMDXVJKKJUNUJII-UHFFFAOYSA-N
MW326.22 g/mol
LogP1.79
Rot. Bonds3

About carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one

carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one (PubChem CID 134874383) has the molecular formula C14H10CrO6 and a molecular weight of 326.22 g/mol. Its IUPAC name is carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one.

Molecular Properties

Compound Namecarbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one
PubChem CID134874383
Molecular FormulaC14H10CrO6
Molecular Weight326.22 g/mol
Exact Mass325.99
IUPAC Namecarbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one
SMILESCC(=C=O)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H10O2.4CO.Cr/c1-9(7-11)12-8-10-5-3-2-4-6-10;4*1-2;/h2-6H,8H2,1H3;;;;;
InChIKeyMDXVJKKJUNUJII-UHFFFAOYSA-N
XLogP1.79
TPSA105.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

benzyl acetate;carbon monoxide;chromium
CID 11196913
benzyl acetate
CID 8785
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl acetate;formonitrile
CID 175329925
benzyl N-acetyl-N-aminocarbamate
CID 67604274
O-benzyl ethanethioate;hydrochloride
CID 140957923
benzyl 2-acetyl-3-oxobutanoate
CID 15496135
phenylmethoxycarbonyl acetate
CID 88811715
(Z)-2-phenylmethoxybut-2-enal
CID 155092165

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one?
The IUPAC name of carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one (CID 134874383) is carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one.
What is the SMILES notation for carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one?
The canonical SMILES for carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one is CC(=C=O)OCc1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one?
The InChIKey is MDXVJKKJUNUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.4CO.Cr/c1-9(7-11)12-8-10-5-3-2-4-6-10;4*1-2;/h2-6H,8H2,1H3;;;;;.
What are the key properties of carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one?
carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one has a molecular weight of 326.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;2-phenylmethoxyprop-1-en-1-one is sourced from PubChem (CID 134874383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).