carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol

C16H21CrNO4 — CID 134899115

IUPACcarbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol
SMILESCCc1ccc(N(C)C)cc1[C@H](C)CO.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H21NO.3CO.Cr/c1-5-11-6-7-12(14(3)4)8-13(11)10(2)9-15;3*1-2;/h6-8,10,15H,5,9H2,1-4H3;;;;/t10-;;;;/m1..../s1
InChIKeyPOPBYHXSMXHUEE-USOZLSCGSA-N
MW343.34 g/mol
LogP2.30
Rot. Bonds4

About carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol

carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol (PubChem CID 134899115) has the molecular formula C16H21CrNO4 and a molecular weight of 343.34 g/mol. Its IUPAC name is carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol.

Molecular Properties

Compound Namecarbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol
PubChem CID134899115
Molecular FormulaC16H21CrNO4
Molecular Weight343.34 g/mol
Exact Mass343.09
IUPAC Namecarbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol
SMILESCCc1ccc(N(C)C)cc1[C@H](C)CO.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C13H21NO.3CO.Cr/c1-5-11-6-7-12(14(3)4)8-13(11)10(2)9-15;3*1-2;/h6-8,10,15H,5,9H2,1-4H3;;;;/t10-;;;;/m1..../s1
InChIKeyPOPBYHXSMXHUEE-USOZLSCGSA-N
XLogP2.30
TPSA83.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
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;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol?
The IUPAC name of carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol (CID 134899115) is carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol.
What is the SMILES notation for carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol?
The canonical SMILES for carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol is CCc1ccc(N(C)C)cc1[C@H](C)CO.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol?
The InChIKey is POPBYHXSMXHUEE-USOZLSCGSA-N. The full InChI is InChI=1S/C13H21NO.3CO.Cr/c1-5-11-6-7-12(14(3)4)8-13(11)10(2)9-15;3*1-2;/h6-8,10,15H,5,9H2,1-4H3;;;;/t10-;;;;/m1..../s1.
What are the key properties of carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol?
carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol has a molecular weight of 343.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;(2S)-2-[5-(dimethylamino)-2-ethylphenyl]propan-1-ol is sourced from PubChem (CID 134899115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).