2-ethyl-4-heptyl-6-pentylphenol

C20H34O — CID 66879967

IUPAC2-ethyl-4-heptyl-6-pentylphenol
SMILESCCCCCCCc1cc(CC)c(O)c(CCCCC)c1
InChIInChI=1S/C20H34O/c1-4-7-9-10-12-13-17-15-18(6-3)20(21)19(16-17)14-11-8-5-2/h15-16,21H,4-14H2,1-3H3
InChIKeyUPFANZBLORSZTL-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.20
Rot. Bonds11

About 2-ethyl-4-heptyl-6-pentylphenol

2-ethyl-4-heptyl-6-pentylphenol (PubChem CID 66879967) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-ethyl-4-heptyl-6-pentylphenol.

Molecular Properties

Compound Name2-ethyl-4-heptyl-6-pentylphenol
PubChem CID66879967
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-ethyl-4-heptyl-6-pentylphenol
SMILESCCCCCCCc1cc(CC)c(O)c(CCCCC)c1
InChIInChI=1S/C20H34O/c1-4-7-9-10-12-13-17-15-18(6-3)20(21)19(16-17)14-11-8-5-2/h15-16,21H,4-14H2,1-3H3
InChIKeyUPFANZBLORSZTL-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-heptyl-6-pentylphenol 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

2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2,6-diethyl-4-pentylphenol
CID 66879488
2,4,6-triheptylphenol
CID 139692303
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015
2,4,6-tris[10-(didecylamino)decyl]phenol
CID 150630687
2-(methylaminomethyl)-4,6-di(nonyl)phenol
CID 23346792
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol
CID 21499299
3,5-didodecyl-2-hydroxybenzenesulfonic acid
CID 20563301

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-heptyl-6-pentylphenol?
The IUPAC name of 2-ethyl-4-heptyl-6-pentylphenol (CID 66879967) is 2-ethyl-4-heptyl-6-pentylphenol.
What is the SMILES notation for 2-ethyl-4-heptyl-6-pentylphenol?
The canonical SMILES for 2-ethyl-4-heptyl-6-pentylphenol is CCCCCCCc1cc(CC)c(O)c(CCCCC)c1.
What is the InChIKey of 2-ethyl-4-heptyl-6-pentylphenol?
The InChIKey is UPFANZBLORSZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-4-7-9-10-12-13-17-15-18(6-3)20(21)19(16-17)14-11-8-5-2/h15-16,21H,4-14H2,1-3H3.
What are the key properties of 2-ethyl-4-heptyl-6-pentylphenol?
2-ethyl-4-heptyl-6-pentylphenol has a molecular weight of 290.49 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-heptyl-6-pentylphenol is sourced from PubChem (CID 66879967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).