CID 67550053

C11H14KO2 — CID 67550053

IUPAC—
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.[K]
InChIInChI=1S/C11H14O2.K/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);
InChIKeyARHCLGRDMOKJIF-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.30
Rot. Bonds1

About CID 67550053

CID 67550053 (PubChem CID 67550053) has the molecular formula C11H14KO2 and a molecular weight of 217.33 g/mol.

Molecular Properties

Compound NameCID 67550053
PubChem CID67550053
Molecular FormulaC11H14KO2
Molecular Weight217.33 g/mol
Exact Mass217.06
IUPAC Name—
SMILESCC(C)(C)c1ccc(C(=O)O)cc1.[K]
InChIInChI=1S/C11H14O2.K/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);
InChIKeyARHCLGRDMOKJIF-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 67550053?
The IUPAC name of CID 67550053 (CID 67550053) is not available.
What is the SMILES notation for CID 67550053?
The canonical SMILES for CID 67550053 is CC(C)(C)c1ccc(C(=O)O)cc1.[K].
What is the InChIKey of CID 67550053?
The InChIKey is ARHCLGRDMOKJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.K/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h4-7H,1-3H3,(H,12,13);.
What are the key properties of CID 67550053?
CID 67550053 has a molecular weight of 217.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67550053 is sourced from PubChem (CID 67550053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).