4-(2-pentoxyethyl)phenol

C13H20O2 — CID 67806399

IUPAC4-(2-pentoxyethyl)phenol
SMILESCCCCCOCCc1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-2-3-4-10-15-11-9-12-5-7-13(14)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyCBWWNWMTSPIDDQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.14
Rot. Bonds7

About 4-(2-pentoxyethyl)phenol

4-(2-pentoxyethyl)phenol (PubChem CID 67806399) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(2-pentoxyethyl)phenol.

Molecular Properties

Compound Name4-(2-pentoxyethyl)phenol
PubChem CID67806399
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(2-pentoxyethyl)phenol
SMILESCCCCCOCCc1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-2-3-4-10-15-11-9-12-5-7-13(14)8-6-12/h5-8,14H,2-4,9-11H2,1H3
InChIKeyCBWWNWMTSPIDDQ-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-propoxypentyl)phenol
CID 175182886
4-(hexoxymethyl)phenol
CID 14816980
2-pentoxyethylbenzene
CID 3022447
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
methanolate;nickel(3+);4-octylphenol
CID 159960852
nickel;4-octylphenol
CID 87833867
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
4-butylphenol;tungsten
CID 174758928
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922

Frequently Asked Questions

What is the IUPAC name of 4-(2-pentoxyethyl)phenol?
The IUPAC name of 4-(2-pentoxyethyl)phenol (CID 67806399) is 4-(2-pentoxyethyl)phenol.
What is the SMILES notation for 4-(2-pentoxyethyl)phenol?
The canonical SMILES for 4-(2-pentoxyethyl)phenol is CCCCCOCCc1ccc(O)cc1.
What is the InChIKey of 4-(2-pentoxyethyl)phenol?
The InChIKey is CBWWNWMTSPIDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-4-10-15-11-9-12-5-7-13(14)8-6-12/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of 4-(2-pentoxyethyl)phenol?
4-(2-pentoxyethyl)phenol has a molecular weight of 208.30 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pentoxyethyl)phenol is sourced from PubChem (CID 67806399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).