2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene

C19H32O3 — CID 20728990

IUPAC2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene
SMILESCOC(C)OCCOc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H32O3/c1-14(20-8)21-11-12-22-17-10-9-15(18(2,3)4)13-16(17)19(5,6)7/h9-10,13-14H,11-12H2,1-8H3
InChIKeyMMMDYDTVMNLLFL-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.67
Rot. Bonds6

About 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene

2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene (PubChem CID 20728990) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene
PubChem CID20728990
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene
SMILESCOC(C)OCCOc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H32O3/c1-14(20-8)21-11-12-22-17-10-9-15(18(2,3)4)13-16(17)19(5,6)7/h9-10,13-14H,11-12H2,1-8H3
InChIKeyMMMDYDTVMNLLFL-UHFFFAOYSA-N
XLogP4.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4-ditert-butyl-1-[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 129256611
2-[2-(2,4-ditert-butylphenoxy)ethoxy]benzaldehyde
CID 22685837
1-(2,4-ditert-butylphenoxy)-N-methylbutan-2-amine
CID 63473970
2,4-ditert-butyl-1-prop-2-ynoxybenzene
CID 50886344
N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-methoxyaniline
CID 54798140
N-[2-(2,4-ditert-butylphenoxy)ethyl]prop-2-en-1-amine
CID 63506868
2,4-ditert-butyl-1-(trifluoromethoxy)benzene
CID 164683677
N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-(2-methylpropoxy)aniline
CID 54800070
2-bis(2,4-ditert-butylphenoxy)phosphanylethyl-bis(2,4-ditert-butylphenoxy)phosphane
CID 139718939
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
4-[2-(2,4-ditert-butylphenoxy)ethyl]piperidine
CID 56829654
1-(2,4-ditert-butylphenoxy)pentan-2-ol
CID 63470439

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene?
The IUPAC name of 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene (CID 20728990) is 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene?
The canonical SMILES for 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene is COC(C)OCCOc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene?
The InChIKey is MMMDYDTVMNLLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-14(20-8)21-11-12-22-17-10-9-15(18(2,3)4)13-16(17)19(5,6)7/h9-10,13-14H,11-12H2,1-8H3.
What are the key properties of 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene?
2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene has a molecular weight of 308.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1-[2-(1-methoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 20728990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).