CID 3697243

C13H14O — CID 3697243

IUPAC—
SMILESOC1C2(CC2)c2ccccc2C12CC2
InChIInChI=1S/C13H14O/c14-11-12(5-6-12)9-3-1-2-4-10(9)13(11)7-8-13/h1-4,11,14H,5-8H2
InChIKeyQLJAXEDGKXBWJH-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.12
Rot. Bonds

About CID 3697243

CID 3697243 (PubChem CID 3697243) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol.

Molecular Properties

Compound NameCID 3697243
PubChem CID3697243
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name—
SMILESOC1C2(CC2)c2ccccc2C12CC2
InChIInChI=1S/C13H14O/c14-11-12(5-6-12)9-3-1-2-4-10(9)13(11)7-8-13/h1-4,11,14H,5-8H2
InChIKeyQLJAXEDGKXBWJH-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 3697243?
The IUPAC name of CID 3697243 (CID 3697243) is not available.
What is the SMILES notation for CID 3697243?
The canonical SMILES for CID 3697243 is OC1C2(CC2)c2ccccc2C12CC2.
What is the InChIKey of CID 3697243?
The InChIKey is QLJAXEDGKXBWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-11-12(5-6-12)9-3-1-2-4-10(9)13(11)7-8-13/h1-4,11,14H,5-8H2.
What are the key properties of CID 3697243?
CID 3697243 has a molecular weight of 186.25 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 3697243 is sourced from PubChem (CID 3697243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).