US20240150293, Example 64

C16H18O2 — CID 58909873

IUPAC—
SMILESC1=CC2(CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C16H18O2/c1-2-4-14-13(3-1)5-6-15(14)7-9-16(10-8-15)17-11-12-18-16/h1-6H,7-12H2
InChIKeyXEDKKOYOEPKZCX-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.27
Rot. Bonds

About US20240150293, Example 64

US20240150293, Example 64 (PubChem CID 58909873) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol.

Molecular Properties

Compound NameUS20240150293, Example 64
PubChem CID58909873
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name—
SMILESC1=CC2(CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C16H18O2/c1-2-4-14-13(3-1)5-6-15(14)7-9-16(10-8-15)17-11-12-18-16/h1-6H,7-12H2
InChIKeyXEDKKOYOEPKZCX-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze US20240150293, Example 64 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of US20240150293, Example 64?
The IUPAC name of US20240150293, Example 64 (CID 58909873) is not available.
What is the SMILES notation for US20240150293, Example 64?
The canonical SMILES for US20240150293, Example 64 is C1=CC2(CCC3(CC2)OCCO3)c2ccccc21.
What is the InChIKey of US20240150293, Example 64?
The InChIKey is XEDKKOYOEPKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-4-14-13(3-1)5-6-15(14)7-9-16(10-8-15)17-11-12-18-16/h1-6H,7-12H2.
What are the key properties of US20240150293, Example 64?
US20240150293, Example 64 has a molecular weight of 242.32 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for US20240150293, Example 64 is sourced from PubChem (CID 58909873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).