CID 168763654

C13H17O2 — CID 168763654

IUPAC—
SMILES[CH2]c1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C13H17O2/c1-11-2-4-12(5-3-11)10-15-13-6-8-14-9-7-13/h2-5,13H,1,6-10H2
InChIKeyNSJATEHLFFMPFK-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.56
Rot. Bonds3

About CID 168763654

CID 168763654 (PubChem CID 168763654) has the molecular formula C13H17O2 and a molecular weight of 205.28 g/mol.

Molecular Properties

Compound NameCID 168763654
PubChem CID168763654
Molecular FormulaC13H17O2
Molecular Weight205.28 g/mol
Exact Mass205.12
IUPAC Name—
SMILES[CH2]c1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C13H17O2/c1-11-2-4-12(5-3-11)10-15-13-6-8-14-9-7-13/h2-5,13H,1,6-10H2
InChIKeyNSJATEHLFFMPFK-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91656879
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CID 53211417
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Frequently Asked Questions

What is the IUPAC name of CID 168763654?
The IUPAC name of CID 168763654 (CID 168763654) is not available.
What is the SMILES notation for CID 168763654?
The canonical SMILES for CID 168763654 is [CH2]c1ccc(COC2CCOCC2)cc1.
What is the InChIKey of CID 168763654?
The InChIKey is NSJATEHLFFMPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2/c1-11-2-4-12(5-3-11)10-15-13-6-8-14-9-7-13/h2-5,13H,1,6-10H2.
What are the key properties of CID 168763654?
CID 168763654 has a molecular weight of 205.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168763654 is sourced from PubChem (CID 168763654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).