2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane

C18H28O6 — CID 5113393

IUPAC2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESc1ccc(COCC2COCCOCCOCCOCCO2)cc1
InChIInChI=1S/C18H28O6/c1-2-4-17(5-3-1)14-23-16-18-15-22-11-10-20-7-6-19-8-9-21-12-13-24-18/h1-5,18H,6-16H2
InChIKeyUAXWCXRLGRPPPM-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.67
Rot. Bonds4

About 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane

2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane (PubChem CID 5113393) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
PubChem CID5113393
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane
SMILESc1ccc(COCC2COCCOCCOCCOCCO2)cc1
InChIInChI=1S/C18H28O6/c1-2-4-17(5-3-1)14-23-16-18-15-22-11-10-20-7-6-19-8-9-21-12-13-24-18/h1-5,18H,6-16H2
InChIKeyUAXWCXRLGRPPPM-UHFFFAOYSA-N
XLogP1.67
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane 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 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The IUPAC name of 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane (CID 5113393) is 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane.
What is the SMILES notation for 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The canonical SMILES for 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane is c1ccc(COCC2COCCOCCOCCOCCO2)cc1.
What is the InChIKey of 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
The InChIKey is UAXWCXRLGRPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c1-2-4-17(5-3-1)14-23-16-18-15-22-11-10-20-7-6-19-8-9-21-12-13-24-18/h1-5,18H,6-16H2.
What are the key properties of 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane?
2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane has a molecular weight of 340.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-1,4,7,10,13-pentaoxacyclopentadecane is sourced from PubChem (CID 5113393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).