CID 67744979

C8H7O2Si — CID 67744979

IUPAC—
SMILESOc1ccccc1/C=C/O[Si]
InChIInChI=1S/C8H7O2Si/c9-8-4-2-1-3-7(8)5-6-10-11/h1-6,9H/b6-5+
InChIKeyOUMLSXISVALKIH-AATRIKPKSA-N
MW163.23 g/mol
LogP1.46
Rot. Bonds2

About CID 67744979

CID 67744979 (PubChem CID 67744979) has the molecular formula C8H7O2Si and a molecular weight of 163.23 g/mol.

Molecular Properties

Compound NameCID 67744979
PubChem CID67744979
Molecular FormulaC8H7O2Si
Molecular Weight163.23 g/mol
Exact Mass163.02
IUPAC Name—
SMILESOc1ccccc1/C=C/O[Si]
InChIInChI=1S/C8H7O2Si/c9-8-4-2-1-3-7(8)5-6-10-11/h1-6,9H/b6-5+
InChIKeyOUMLSXISVALKIH-AATRIKPKSA-N
XLogP1.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
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2-(3-sulfanylprop-1-enyl)phenol
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(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
2-penta-1,3-dienylphenol
CID 141162259
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(2-hydroxyphenyl)methylideneiron
CID 87449748
2-ethenylphenol
CID 161061609
(2-hydroxyphenyl)methylideneruthenium(1+)
CID 145329555
CID 158421076
CID 158421076
CID 67789680
CID 67789680
2-[(E)-fluoroiminomethyl]phenol
CID 137273576

Frequently Asked Questions

What is the IUPAC name of CID 67744979?
The IUPAC name of CID 67744979 (CID 67744979) is not available.
What is the SMILES notation for CID 67744979?
The canonical SMILES for CID 67744979 is Oc1ccccc1/C=C/O[Si].
What is the InChIKey of CID 67744979?
The InChIKey is OUMLSXISVALKIH-AATRIKPKSA-N. The full InChI is InChI=1S/C8H7O2Si/c9-8-4-2-1-3-7(8)5-6-10-11/h1-6,9H/b6-5+.
What are the key properties of CID 67744979?
CID 67744979 has a molecular weight of 163.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67744979 is sourced from PubChem (CID 67744979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).