3-ethoxy-2-pentylphenol;toluene

C20H28O2 — CID 174953910

IUPAC3-ethoxy-2-pentylphenol;toluene
SMILESCCCCCc1c(O)cccc1OCC.Cc1ccccc1
InChIInChI=1S/C13H20O2.C7H8/c1-3-5-6-8-11-12(14)9-7-10-13(11)15-4-2;1-7-5-3-2-4-6-7/h7,9-10,14H,3-6,8H2,1-2H3;2-6H,1H3
InChIKeyQEUXZANPLBWYPJ-UHFFFAOYSA-N
MW300.44 g/mol
LogP5.52
Rot. Bonds6

About 3-ethoxy-2-pentylphenol;toluene

3-ethoxy-2-pentylphenol;toluene (PubChem CID 174953910) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-ethoxy-2-pentylphenol;toluene.

Molecular Properties

Compound Name3-ethoxy-2-pentylphenol;toluene
PubChem CID174953910
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name3-ethoxy-2-pentylphenol;toluene
SMILESCCCCCc1c(O)cccc1OCC.Cc1ccccc1
InChIInChI=1S/C13H20O2.C7H8/c1-3-5-6-8-11-12(14)9-7-10-13(11)15-4-2;1-7-5-3-2-4-6-7/h7,9-10,14H,3-6,8H2,1-2H3;2-6H,1H3
InChIKeyQEUXZANPLBWYPJ-UHFFFAOYSA-N
XLogP5.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-2-pentylphenol;toluene 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

4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117321755
2-pentylbenzene-1,3-diol
CID 15007741
(3-hydroxy-2-pentylphenyl) acetate
CID 69325371
2-ethoxy-6-heptadecylphenol
CID 10499794
2-ethyl-3-hexoxyphenol
CID 118561746
1-decyl-2-ethoxybenzene
CID 175243335
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
2-hexyl-3-methylphenol
CID 28322
4-(3-hydroxy-2-propylphenoxy)butanoic acid
CID 67632631
2,3-dihexylbenzene-1,4-diol
CID 69329716
2,3-di(nonadecyl)phenol
CID 151687635

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-pentylphenol;toluene?
The IUPAC name of 3-ethoxy-2-pentylphenol;toluene (CID 174953910) is 3-ethoxy-2-pentylphenol;toluene.
What is the SMILES notation for 3-ethoxy-2-pentylphenol;toluene?
The canonical SMILES for 3-ethoxy-2-pentylphenol;toluene is CCCCCc1c(O)cccc1OCC.Cc1ccccc1.
What is the InChIKey of 3-ethoxy-2-pentylphenol;toluene?
The InChIKey is QEUXZANPLBWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C7H8/c1-3-5-6-8-11-12(14)9-7-10-13(11)15-4-2;1-7-5-3-2-4-6-7/h7,9-10,14H,3-6,8H2,1-2H3;2-6H,1H3.
What are the key properties of 3-ethoxy-2-pentylphenol;toluene?
3-ethoxy-2-pentylphenol;toluene has a molecular weight of 300.44 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-pentylphenol;toluene is sourced from PubChem (CID 174953910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).