(2-hydroxy-2-phenylethyl) hypochlorite;scandium

C8H9ClO2Sc — CID 155773445

IUPAC(2-hydroxy-2-phenylethyl) hypochlorite;scandium
SMILESOC(COCl)c1ccccc1.[Sc]
InChIInChI=1S/C8H9ClO2.Sc/c9-11-6-8(10)7-4-2-1-3-5-7;/h1-5,8,10H,6H2;
InChIKeyGFGRLPVFNIIBQY-UHFFFAOYSA-N
MW217.57 g/mol
LogP1.89
Rot. Bonds3

About (2-hydroxy-2-phenylethyl) hypochlorite;scandium

(2-hydroxy-2-phenylethyl) hypochlorite;scandium (PubChem CID 155773445) has the molecular formula C8H9ClO2Sc and a molecular weight of 217.57 g/mol. Its IUPAC name is (2-hydroxy-2-phenylethyl) hypochlorite;scandium.

Molecular Properties

Compound Name(2-hydroxy-2-phenylethyl) hypochlorite;scandium
PubChem CID155773445
Molecular FormulaC8H9ClO2Sc
Molecular Weight217.57 g/mol
Exact Mass216.99
IUPAC Name(2-hydroxy-2-phenylethyl) hypochlorite;scandium
SMILESOC(COCl)c1ccccc1.[Sc]
InChIInChI=1S/C8H9ClO2.Sc/c9-11-6-8(10)7-4-2-1-3-5-7;/h1-5,8,10H,6H2;
InChIKeyGFGRLPVFNIIBQY-UHFFFAOYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.57
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;2-methoxy-1-phenylethanol
CID 174622919
(1S)-2-chloro-1-phenylethanol
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1-phenyl-2-(1-phenylethoxy)ethanol
CID 57324442
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059
[(2R)-2-hydroxy-2-phenylethyl] propanoate
CID 10442612
2-(2-ethoxyphenoxy)-1-phenylethanol
CID 60730563
1-phenyl-2-phosphanylethanol
CID 572080
(1R)-1,2-diphenylethanol
CID 1379022
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
dichloromethane;1-phenylpropan-1-ol
CID 175142848

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylethyl) hypochlorite;scandium?
The IUPAC name of (2-hydroxy-2-phenylethyl) hypochlorite;scandium (CID 155773445) is (2-hydroxy-2-phenylethyl) hypochlorite;scandium.
What is the SMILES notation for (2-hydroxy-2-phenylethyl) hypochlorite;scandium?
The canonical SMILES for (2-hydroxy-2-phenylethyl) hypochlorite;scandium is OC(COCl)c1ccccc1.[Sc].
What is the InChIKey of (2-hydroxy-2-phenylethyl) hypochlorite;scandium?
The InChIKey is GFGRLPVFNIIBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2.Sc/c9-11-6-8(10)7-4-2-1-3-5-7;/h1-5,8,10H,6H2;.
What are the key properties of (2-hydroxy-2-phenylethyl) hypochlorite;scandium?
(2-hydroxy-2-phenylethyl) hypochlorite;scandium has a molecular weight of 217.57 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylethyl) hypochlorite;scandium is sourced from PubChem (CID 155773445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).