CID 175144896

C10H13N3O4Si3 — CID 175144896

IUPAC—
SMILESCOc1cc(C)ccc1O.[Si]O[Si]O[Si].c1cn[nH]n1
InChIInChI=1S/C8H10O2.C2H3N3.O2Si3/c1-6-3-4-7(9)8(5-6)10-2;1-2-4-5-3-1;3-1-5-2-4/h3-5,9H,1-2H3;1-2H,(H,3,4,5);
InChIKeyMJRLLSVWAVTUOF-UHFFFAOYSA-N
MW323.49 g/mol
LogP0.23
Rot. Bonds3

About CID 175144896

CID 175144896 (PubChem CID 175144896) has the molecular formula C10H13N3O4Si3 and a molecular weight of 323.49 g/mol.

Molecular Properties

Compound NameCID 175144896
PubChem CID175144896
Molecular FormulaC10H13N3O4Si3
Molecular Weight323.49 g/mol
Exact Mass323.02
IUPAC Name—
SMILESCOc1cc(C)ccc1O.[Si]O[Si]O[Si].c1cn[nH]n1
InChIInChI=1S/C8H10O2.C2H3N3.O2Si3/c1-6-3-4-7(9)8(5-6)10-2;1-2-4-5-3-1;3-1-5-2-4/h3-5,9H,1-2H3;1-2H,(H,3,4,5);
InChIKeyMJRLLSVWAVTUOF-UHFFFAOYSA-N
XLogP0.23
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-methoxy-4-methylphenol
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2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
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2-(3-methoxypropoxy)-4-methylphenol
CID 59224290
4-(2-chloro-4-methylphenyl)sulfanyl-2-methoxyphenol
CID 143476440
tris(2-hydroxy-5-methylphenyl) phosphite
CID 101310923
(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
CID 131844912
CID 131844912
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
2-(3-methoxy-2-pyridinyl)-4-methylphenol
CID 136817093
2-ethyl-6-methoxy-4-methylphenol
CID 23597037

Frequently Asked Questions

What is the IUPAC name of CID 175144896?
The IUPAC name of CID 175144896 (CID 175144896) is not available.
What is the SMILES notation for CID 175144896?
The canonical SMILES for CID 175144896 is COc1cc(C)ccc1O.[Si]O[Si]O[Si].c1cn[nH]n1.
What is the InChIKey of CID 175144896?
The InChIKey is MJRLLSVWAVTUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C2H3N3.O2Si3/c1-6-3-4-7(9)8(5-6)10-2;1-2-4-5-3-1;3-1-5-2-4/h3-5,9H,1-2H3;1-2H,(H,3,4,5);.
What are the key properties of CID 175144896?
CID 175144896 has a molecular weight of 323.49 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175144896 is sourced from PubChem (CID 175144896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).