2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol

C19H32O3 — CID 46781372

IUPAC2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol
SMILESCCC(C)(CCC(C)C)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C19H32O3/c1-5-19(4,11-10-16(2)3)17-6-8-18(9-7-17)22-15-14-21-13-12-20/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyMXEUZASFOXCTSR-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.18
Rot. Bonds11

About 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol

2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol (PubChem CID 46781372) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol
PubChem CID46781372
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol
SMILESCCC(C)(CCC(C)C)c1ccc(OCCOCCO)cc1
InChIInChI=1S/C19H32O3/c1-5-19(4,11-10-16(2)3)17-6-8-18(9-7-17)22-15-14-21-13-12-20/h6-9,16,20H,5,10-15H2,1-4H3
InChIKeyMXEUZASFOXCTSR-UHFFFAOYSA-N
XLogP4.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol 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-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol (CID 46781372) is 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol is CCC(C)(CCC(C)C)c1ccc(OCCOCCO)cc1.
What is the InChIKey of 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol?
The InChIKey is MXEUZASFOXCTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-5-19(4,11-10-16(2)3)17-6-8-18(9-7-17)22-15-14-21-13-12-20/h6-9,16,20H,5,10-15H2,1-4H3.
What are the key properties of 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol?
2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol has a molecular weight of 308.46 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 46781372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).