carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium

C21H14CrO6 — CID 11090970

IUPACcarbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium
SMILESCOC(=[Cr])c1ccccc1/C=C/c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H14O.5CO.Cr/c1-17-13-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14;5*1-2;/h2-12H,1H3;;;;;;/b12-11+;;;;;;
InChIKeyBCZPKHQSRJAFEX-WOEVDWSHSA-N
MW414.33 g/mol
LogP3.34
Rot. Bonds4

About carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium

carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium (PubChem CID 11090970) has the molecular formula C21H14CrO6 and a molecular weight of 414.33 g/mol. Its IUPAC name is carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium
PubChem CID11090970
Molecular FormulaC21H14CrO6
Molecular Weight414.33 g/mol
Exact Mass414.02
IUPAC Namecarbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium
SMILESCOC(=[Cr])c1ccccc1/C=C/c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H14O.5CO.Cr/c1-17-13-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14;5*1-2;/h2-12H,1H3;;;;;;/b12-11+;;;;;;
InChIKeyBCZPKHQSRJAFEX-WOEVDWSHSA-N
XLogP3.34
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
CID 67279232
N'-(methylamino)-2-[(E)-2-phenylethenyl]benzenecarboximidamide
CID 143629086
methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
CID 170944144
prop-2-enyl 2-[(E)-2-phenylethenyl]benzoate
CID 67876110
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
methyl 2-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 6300586
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
N-(4-ethylphenyl)-2-[(E)-2-phenylethenyl]benzamide
CID 72696812
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
9H-carbazole;phenyl-[2-(2-phenylethenyl)phenyl]methanone
CID 162206940
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium?
The IUPAC name of carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium (CID 11090970) is carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium.
What is the SMILES notation for carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium?
The canonical SMILES for carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium is COC(=[Cr])c1ccccc1/C=C/c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium?
The InChIKey is BCZPKHQSRJAFEX-WOEVDWSHSA-N. The full InChI is InChI=1S/C16H14O.5CO.Cr/c1-17-13-16-10-6-5-9-15(16)12-11-14-7-3-2-4-8-14;5*1-2;/h2-12H,1H3;;;;;;/b12-11+;;;;;;.
What are the key properties of carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium?
carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium has a molecular weight of 414.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[methoxy-[2-[(E)-2-phenylethenyl]phenyl]methylidene]chromium is sourced from PubChem (CID 11090970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).