CID 101213352

C11H13O2 — CID 101213352

IUPAC—
SMILESC[C@H]1CCO[C](c2ccccc2)O1
InChIInChI=1S/C11H13O2/c1-9-7-8-12-11(13-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeyPTWJGBUHVAZLJS-VIFPVBQESA-N
MW177.22 g/mol
LogP2.35
Rot. Bonds1

About CID 101213352

CID 101213352 (PubChem CID 101213352) has the molecular formula C11H13O2 and a molecular weight of 177.22 g/mol.

Molecular Properties

Compound NameCID 101213352
PubChem CID101213352
Molecular FormulaC11H13O2
Molecular Weight177.22 g/mol
Exact Mass177.09
IUPAC Name—
SMILESC[C@H]1CCO[C](c2ccccc2)O1
InChIInChI=1S/C11H13O2/c1-9-7-8-12-11(13-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeyPTWJGBUHVAZLJS-VIFPVBQESA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101213352?
The IUPAC name of CID 101213352 (CID 101213352) is not available.
What is the SMILES notation for CID 101213352?
The canonical SMILES for CID 101213352 is C[C@H]1CCO[C](c2ccccc2)O1.
What is the InChIKey of CID 101213352?
The InChIKey is PTWJGBUHVAZLJS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13O2/c1-9-7-8-12-11(13-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of CID 101213352?
CID 101213352 has a molecular weight of 177.22 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101213352 is sourced from PubChem (CID 101213352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).