carbon monoxide;chromium;2-phenylbenzaldehyde

C16H10CrO4 — CID 11120708

IUPACcarbon monoxide;chromium;2-phenylbenzaldehyde
SMILESO=Cc1ccccc1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H10O.3CO.Cr/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;3*1-2;/h1-10H;;;;
InChIKeyGMDQPWQRIGGQGP-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.05
Rot. Bonds2

About carbon monoxide;chromium;2-phenylbenzaldehyde

carbon monoxide;chromium;2-phenylbenzaldehyde (PubChem CID 11120708) has the molecular formula C16H10CrO4 and a molecular weight of 318.25 g/mol. Its IUPAC name is carbon monoxide;chromium;2-phenylbenzaldehyde.

Molecular Properties

Compound Namecarbon monoxide;chromium;2-phenylbenzaldehyde
PubChem CID11120708
Molecular FormulaC16H10CrO4
Molecular Weight318.25 g/mol
Exact Mass318.00
IUPAC Namecarbon monoxide;chromium;2-phenylbenzaldehyde
SMILESO=Cc1ccccc1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H10O.3CO.Cr/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;3*1-2;/h1-10H;;;;
InChIKeyGMDQPWQRIGGQGP-UHFFFAOYSA-N
XLogP3.05
TPSA76.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbon monoxide;chromium;2-phenylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;2-phenylbenzaldehyde?
The IUPAC name of carbon monoxide;chromium;2-phenylbenzaldehyde (CID 11120708) is carbon monoxide;chromium;2-phenylbenzaldehyde.
What is the SMILES notation for carbon monoxide;chromium;2-phenylbenzaldehyde?
The canonical SMILES for carbon monoxide;chromium;2-phenylbenzaldehyde is O=Cc1ccccc1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;2-phenylbenzaldehyde?
The InChIKey is GMDQPWQRIGGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.3CO.Cr/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11;3*1-2;/h1-10H;;;;.
What are the key properties of carbon monoxide;chromium;2-phenylbenzaldehyde?
carbon monoxide;chromium;2-phenylbenzaldehyde has a molecular weight of 318.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;2-phenylbenzaldehyde is sourced from PubChem (CID 11120708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).