CID 167409576

C10H13InO6P — CID 167409576

IUPAC—
SMILESCCOP(=O)(OCC)C(=O)C1=CC=C(C(=O)O)[In]1
InChIInChI=1S/C10H13O6P.In/c1-3-15-17(14,16-4-2)10(13)8-6-5-7-9(11)12;/h5-6H,3-4H2,1-2H3,(H,11,12);
InChIKeyOTEFCLDJZCSHNO-UHFFFAOYSA-N
MW375.00 g/mol
LogP1.35
Rot. Bonds7

About CID 167409576

CID 167409576 (PubChem CID 167409576) has the molecular formula C10H13InO6P and a molecular weight of 375.00 g/mol.

Molecular Properties

Compound NameCID 167409576
PubChem CID167409576
Molecular FormulaC10H13InO6P
Molecular Weight375.00 g/mol
Exact Mass374.95
IUPAC Name—
SMILESCCOP(=O)(OCC)C(=O)C1=CC=C(C(=O)O)[In]1
InChIInChI=1S/C10H13O6P.In/c1-3-15-17(14,16-4-2)10(13)8-6-5-7-9(11)12;/h5-6H,3-4H2,1-2H3,(H,11,12);
InChIKeyOTEFCLDJZCSHNO-UHFFFAOYSA-N
XLogP1.35
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.00
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diethoxyphosphoryl-(2,4,6-trichloro-3-diethoxyphosphorylcarbonylphenyl)methanone
CID 57299961
2-diethoxyphosphoryl-2-hydroxyiminoacetic acid
CID 87617764
cyclohexen-1-yl(diethoxyphosphoryl)methanone
CID 13278398
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
diethoxyphosphoryl-(2-methoxyphenyl)methanone
CID 23657325
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
bis(diethoxyphosphoryl)methanimine
CID 87803281
(2-diethoxyphosphorylcarbonylphenyl) acetate
CID 71443981
(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
acetic acid;triethyl phosphate
CID 161446956
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631

Frequently Asked Questions

What is the IUPAC name of CID 167409576?
The IUPAC name of CID 167409576 (CID 167409576) is not available.
What is the SMILES notation for CID 167409576?
The canonical SMILES for CID 167409576 is CCOP(=O)(OCC)C(=O)C1=CC=C(C(=O)O)[In]1.
What is the InChIKey of CID 167409576?
The InChIKey is OTEFCLDJZCSHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O6P.In/c1-3-15-17(14,16-4-2)10(13)8-6-5-7-9(11)12;/h5-6H,3-4H2,1-2H3,(H,11,12);.
What are the key properties of CID 167409576?
CID 167409576 has a molecular weight of 375.00 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167409576 is sourced from PubChem (CID 167409576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).