carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol

C18H14CrO5 — CID 10959383

IUPACcarbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol
SMILESC[C@]1(O)c2ccccc2-c2ccccc2[C@@H]1O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H14O2.3CO.Cr/c1-15(17)13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16;3*1-2;/h2-9,14,16-17H,1H3;;;;/t14-,15-;;;;/m0..../s1
InChIKeyONTKZYFNJYQMAE-JJSNJLKGSA-N
MW362.30 g/mol
LogP2.49
Rot. Bonds

About carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol

carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol (PubChem CID 10959383) has the molecular formula C18H14CrO5 and a molecular weight of 362.30 g/mol. Its IUPAC name is carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol.

Molecular Properties

Compound Namecarbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol
PubChem CID10959383
Molecular FormulaC18H14CrO5
Molecular Weight362.30 g/mol
Exact Mass362.02
IUPAC Namecarbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol
SMILESC[C@]1(O)c2ccccc2-c2ccccc2[C@@H]1O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C15H14O2.3CO.Cr/c1-15(17)13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16;3*1-2;/h2-9,14,16-17H,1H3;;;;/t14-,15-;;;;/m0..../s1
InChIKeyONTKZYFNJYQMAE-JJSNJLKGSA-N
XLogP2.49
TPSA100.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol?
The IUPAC name of carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol (CID 10959383) is carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol.
What is the SMILES notation for carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol?
The canonical SMILES for carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol is C[C@]1(O)c2ccccc2-c2ccccc2[C@@H]1O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol?
The InChIKey is ONTKZYFNJYQMAE-JJSNJLKGSA-N. The full InChI is InChI=1S/C15H14O2.3CO.Cr/c1-15(17)13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(15)16;3*1-2;/h2-9,14,16-17H,1H3;;;;/t14-,15-;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol?
carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol has a molecular weight of 362.30 g/mol, XLogP of 2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;(9S,10S)-10-methyl-9H-phenanthrene-9,10-diol is sourced from PubChem (CID 10959383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).