CID 178070963

C23H20O2Si — CID 178070963

IUPAC—
SMILESCOC(=O)c1ccc(C=C[Si]C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20O2Si/c1-25-23(24)21-14-12-18(13-15-21)16-17-26-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,22H,1H3
InChIKeyOCFNBJYINMXGAK-UHFFFAOYSA-N
MW356.50 g/mol
LogP4.94
Rot. Bonds6

About CID 178070963

CID 178070963 (PubChem CID 178070963) has the molecular formula C23H20O2Si and a molecular weight of 356.50 g/mol.

Molecular Properties

Compound NameCID 178070963
PubChem CID178070963
Molecular FormulaC23H20O2Si
Molecular Weight356.50 g/mol
Exact Mass356.12
IUPAC Name—
SMILESCOC(=O)c1ccc(C=C[Si]C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20O2Si/c1-25-23(24)21-14-12-18(13-15-21)16-17-26-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,22H,1H3
InChIKeyOCFNBJYINMXGAK-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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methyl 4-[(E,3S)-3-hydroxybut-1-enyl]benzoate
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methyl 4-[2-(2-phenylsulfanylphenyl)ethenyl]benzoate
CID 54354248
CID 157228504
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methyl benzoate;hydrate
CID 141218240
methyl 4-(2-chloro-2-phenylacetyl)benzoate
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methyl 4-[(E)-5-methoxy-5-oxo-1-phenylpent-1-en-3-yl]benzoate
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anisole;methyl 4-methoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of CID 178070963?
The IUPAC name of CID 178070963 (CID 178070963) is not available.
What is the SMILES notation for CID 178070963?
The canonical SMILES for CID 178070963 is COC(=O)c1ccc(C=C[Si]C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 178070963?
The InChIKey is OCFNBJYINMXGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2Si/c1-25-23(24)21-14-12-18(13-15-21)16-17-26-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,22H,1H3.
What are the key properties of CID 178070963?
CID 178070963 has a molecular weight of 356.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178070963 is sourced from PubChem (CID 178070963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).