CID 101128275

C15H14O2- — CID 101128275

IUPAC—
SMILESCC(C)([C]1C=CC(=O)C=C1)c1ccc([O-])cc1
InChIInChI=1S/C15H15O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16H,1-2H3/p-1
InChIKeySJDQKKLBQTZIGW-UHFFFAOYSA-M
MW226.28 g/mol
LogP2.31
Rot. Bonds2

About CID 101128275

CID 101128275 (PubChem CID 101128275) has the molecular formula C15H14O2- and a molecular weight of 226.28 g/mol.

Molecular Properties

Compound NameCID 101128275
PubChem CID101128275
Molecular FormulaC15H14O2-
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name—
SMILESCC(C)([C]1C=CC(=O)C=C1)c1ccc([O-])cc1
InChIInChI=1S/C15H15O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16H,1-2H3/p-1
InChIKeySJDQKKLBQTZIGW-UHFFFAOYSA-M
XLogP2.31
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101128275?
The IUPAC name of CID 101128275 (CID 101128275) is not available.
What is the SMILES notation for CID 101128275?
The canonical SMILES for CID 101128275 is CC(C)([C]1C=CC(=O)C=C1)c1ccc([O-])cc1.
What is the InChIKey of CID 101128275?
The InChIKey is SJDQKKLBQTZIGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16H,1-2H3/p-1.
What are the key properties of CID 101128275?
CID 101128275 has a molecular weight of 226.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101128275 is sourced from PubChem (CID 101128275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).