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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Related Compounds

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(1S,2R)-1,4-dimethyl-3-propan-2-yl-2H-naphthalene-1,2-diol
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9-[2-(9H-fluoren-9-yl)ethyl]-9H-fluorene;9-[2-(9-hydroxyfluoren-9-yl)ethyl]fluoren-9-ol
CID 161282219
trans-(1R,3S)-3-(9H-fluoren-9-yl)-1,2,2-trimethylcyclopropan-1-ol
CID 102040855
(1S,2S,3R)-1,2,3-trimethyl-2,3-dihydroinden-1-ol
CID 100995671
(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
CID 156789508
2-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene;(9S)-2-(9,9-dimethylfluoren-2-yl)-9-methylfluoren-9-ol;9,9-dimethyl-2-(9-methyl-9H-fluoren-2-yl)fluorene
CID 161049331
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
CID 125495959
2,3-dihydroxy-3-methyl-2H-naphthalene-1,4-dione
CID 70396828
9-bromo-10,10-dimethoxy-9H-phenanthrene
CID 165347012
9-[2-[10-[2-(9-hydroxyfluoren-9-yl)ethynyl]anthracen-9-yl]ethynyl]fluoren-9-ol
CID 5246971
(1S,2R,3R,4R)-3-methyl-2,4-dihydro-1H-naphthalene-1,2,3,4-tetrol
CID 24778112

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).