CID 10662394

C13H13O — CID 10662394

IUPAC—
SMILESOCCc1ccc([C]2[CH][CH][CH][CH]2)cc1
InChIInChI=1S/C13H13O/c14-10-9-11-5-7-13(8-6-11)12-3-1-2-4-12/h1-8,14H,9-10H2
InChIKeyARWSQIDESWZYRR-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.97
Rot. Bonds3

About CID 10662394

CID 10662394 (PubChem CID 10662394) has the molecular formula C13H13O and a molecular weight of 185.25 g/mol.

Molecular Properties

Compound NameCID 10662394
PubChem CID10662394
Molecular FormulaC13H13O
Molecular Weight185.25 g/mol
Exact Mass185.10
IUPAC Name—
SMILESOCCc1ccc([C]2[CH][CH][CH][CH]2)cc1
InChIInChI=1S/C13H13O/c14-10-9-11-5-7-13(8-6-11)12-3-1-2-4-12/h1-8,14H,9-10H2
InChIKeyARWSQIDESWZYRR-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 10662394?
The IUPAC name of CID 10662394 (CID 10662394) is not available.
What is the SMILES notation for CID 10662394?
The canonical SMILES for CID 10662394 is OCCc1ccc([C]2[CH][CH][CH][CH]2)cc1.
What is the InChIKey of CID 10662394?
The InChIKey is ARWSQIDESWZYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O/c14-10-9-11-5-7-13(8-6-11)12-3-1-2-4-12/h1-8,14H,9-10H2.
What are the key properties of CID 10662394?
CID 10662394 has a molecular weight of 185.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10662394 is sourced from PubChem (CID 10662394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).