4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol

C16H26O5 — CID 104564324

IUPAC4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
SMILESCCCCOCCOCCOCCOc1ccc(O)cc1
InChIInChI=1S/C16H26O5/c1-2-3-8-18-9-10-19-11-12-20-13-14-21-16-6-4-15(17)5-7-16/h4-7,17H,2-3,8-14H2,1H3
InChIKeyXBZMCPJKUJBKAD-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.62
Rot. Bonds13

About 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol

4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol (PubChem CID 104564324) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol.

Molecular Properties

Compound Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
PubChem CID104564324
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
SMILESCCCCOCCOCCOCCOc1ccc(O)cc1
InChIInChI=1S/C16H26O5/c1-2-3-8-18-9-10-19-11-12-20-13-14-21-16-6-4-15(17)5-7-16/h4-7,17H,2-3,8-14H2,1H3
InChIKeyXBZMCPJKUJBKAD-UHFFFAOYSA-N
XLogP2.62
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-octadecoxyphenol
CID 22179059
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
1,4-dibutoxybenzene;phenol
CID 174756360
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
4-(2-pentoxyethoxy)aniline
CID 43274923
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
2-pentoxyethoxybenzene
CID 54431229

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol?
The IUPAC name of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol (CID 104564324) is 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol.
What is the SMILES notation for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol?
The canonical SMILES for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol is CCCCOCCOCCOCCOc1ccc(O)cc1.
What is the InChIKey of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol?
The InChIKey is XBZMCPJKUJBKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-2-3-8-18-9-10-19-11-12-20-13-14-21-16-6-4-15(17)5-7-16/h4-7,17H,2-3,8-14H2,1H3.
What are the key properties of 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol?
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol has a molecular weight of 298.38 g/mol, XLogP of 2.62, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol is sourced from PubChem (CID 104564324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).