1-ethyl-4-(2-propan-2-yloxyethoxy)benzene

C13H20O2 — CID 60643723

IUPAC1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
SMILESCCc1ccc(OCCOC(C)C)cc1
InChIInChI=1S/C13H20O2/c1-4-12-5-7-13(8-6-12)15-10-9-14-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyUIFYODWBRGFRHV-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds6

About 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene

1-ethyl-4-(2-propan-2-yloxyethoxy)benzene (PubChem CID 60643723) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene.

Molecular Properties

Compound Name1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
PubChem CID60643723
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
SMILESCCc1ccc(OCCOC(C)C)cc1
InChIInChI=1S/C13H20O2/c1-4-12-5-7-13(8-6-12)15-10-9-14-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyUIFYODWBRGFRHV-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
2-[2-(4-ethylphenoxy)ethoxy]propanethioamide
CID 114266266
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
1-(2-ethoxyethoxy)-4-[4-(2-propan-2-yloxyethoxy)phenyl]benzene
CID 90249026
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495682
N-ethyl-1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43285146
diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
CID 59584286
4-ethyl-2-fluoro-1-(2-propan-2-yloxyethoxy)benzene
CID 168968780

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene?
The IUPAC name of 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene (CID 60643723) is 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene.
What is the SMILES notation for 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene?
The canonical SMILES for 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene is CCc1ccc(OCCOC(C)C)cc1.
What is the InChIKey of 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene?
The InChIKey is UIFYODWBRGFRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-12-5-7-13(8-6-12)15-10-9-14-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene?
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-propan-2-yloxyethoxy)benzene is sourced from PubChem (CID 60643723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).