1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene

C20H26O3 — CID 177106556

IUPAC1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
SMILESCCOc1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26O3/c1-5-21-18-7-6-8-19(15-18)23-14-13-22-17-11-9-16(10-12-17)20(2,3)4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyUBUHBQUIUYMUHC-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.84
Rot. Bonds7

About 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene

1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene (PubChem CID 177106556) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
PubChem CID177106556
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene
SMILESCCOc1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H26O3/c1-5-21-18-7-6-8-19(15-18)23-14-13-22-17-11-9-16(10-12-17)20(2,3)4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyUBUHBQUIUYMUHC-UHFFFAOYSA-N
XLogP4.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
N-[2-(4-tert-butylphenoxy)ethyl]-3-(2-methoxyethoxy)aniline
CID 54803038
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
3-[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]propanoic acid
CID 20991725
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-(4-bromobutoxy)-3-ethoxybenzene
CID 62338454
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
2-(3-ethoxyphenoxy)ethyl-dimethylazanium
CID 7413651
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene?
The IUPAC name of 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene (CID 177106556) is 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene?
The canonical SMILES for 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene is CCOc1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene?
The InChIKey is UBUHBQUIUYMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-5-21-18-7-6-8-19(15-18)23-14-13-22-17-11-9-16(10-12-17)20(2,3)4/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene?
1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene has a molecular weight of 314.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(3-ethoxyphenoxy)ethoxy]benzene is sourced from PubChem (CID 177106556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).