CID 69284850

C10H12NaO2 — CID 69284850

IUPAC—
SMILESC=CCc1ccc(O)c(OC)c1.[Na]
InChIInChI=1S/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2;/h3,5-7,11H,1,4H2,2H3;
InChIKeyYXAQTUMTSYQJHN-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.75
Rot. Bonds3

About CID 69284850

CID 69284850 (PubChem CID 69284850) has the molecular formula C10H12NaO2 and a molecular weight of 187.19 g/mol.

Molecular Properties

Compound NameCID 69284850
PubChem CID69284850
Molecular FormulaC10H12NaO2
Molecular Weight187.19 g/mol
Exact Mass187.07
IUPAC Name—
SMILESC=CCc1ccc(O)c(OC)c1.[Na]
InChIInChI=1S/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2;/h3,5-7,11H,1,4H2,2H3;
InChIKeyYXAQTUMTSYQJHN-UHFFFAOYSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 69284850?
The IUPAC name of CID 69284850 (CID 69284850) is not available.
What is the SMILES notation for CID 69284850?
The canonical SMILES for CID 69284850 is C=CCc1ccc(O)c(OC)c1.[Na].
What is the InChIKey of CID 69284850?
The InChIKey is YXAQTUMTSYQJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.Na/c1-3-4-8-5-6-9(11)10(7-8)12-2;/h3,5-7,11H,1,4H2,2H3;.
What are the key properties of CID 69284850?
CID 69284850 has a molecular weight of 187.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69284850 is sourced from PubChem (CID 69284850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).