carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone

C17H14CrO7 — CID 134874110

IUPACcarbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone
SMILESCOc1cccc(COC(=C=O)C2CC2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H14O3.4CO.Cr/c1-15-12-4-2-3-10(7-12)9-16-13(8-14)11-5-6-11;4*1-2;/h2-4,7,11H,5-6,9H2,1H3;;;;;
InChIKeyFSYSOXPVVCJGKZ-UHFFFAOYSA-N
MW382.29 g/mol
LogP2.18
Rot. Bonds5

About carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone

carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone (PubChem CID 134874110) has the molecular formula C17H14CrO7 and a molecular weight of 382.29 g/mol. Its IUPAC name is carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone.

Molecular Properties

Compound Namecarbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone
PubChem CID134874110
Molecular FormulaC17H14CrO7
Molecular Weight382.29 g/mol
Exact Mass382.01
IUPAC Namecarbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone
SMILESCOc1cccc(COC(=C=O)C2CC2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H14O3.4CO.Cr/c1-15-12-4-2-3-10(7-12)9-16-13(8-14)11-5-6-11;4*1-2;/h2-4,7,11H,5-6,9H2,1H3;;;;;
InChIKeyFSYSOXPVVCJGKZ-UHFFFAOYSA-N
XLogP2.18
TPSA115.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
CID 134874113
(3-methoxyphenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525224
1-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethanone
CID 63907495
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
CID 79034994
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
(3-methoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78790601
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone?
The IUPAC name of carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone (CID 134874110) is carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone.
What is the SMILES notation for carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone?
The canonical SMILES for carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone is COc1cccc(COC(=C=O)C2CC2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone?
The InChIKey is FSYSOXPVVCJGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3.4CO.Cr/c1-15-12-4-2-3-10(7-12)9-16-13(8-14)11-5-6-11;4*1-2;/h2-4,7,11H,5-6,9H2,1H3;;;;;.
What are the key properties of carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone?
carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone has a molecular weight of 382.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;2-cyclopropyl-2-[(3-methoxyphenyl)methoxy]ethenone is sourced from PubChem (CID 134874110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).