ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol

C23H34O4 — CID 144648391

IUPACethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol
SMILESCC.CCCCCc1ccc(-c2cc(O)cc(OCCOCCO)c2)cc1
InChIInChI=1S/C21H28O4.C2H6/c1-2-3-4-5-17-6-8-18(9-7-17)19-14-20(23)16-21(15-19)25-13-12-24-11-10-22;1-2/h6-9,14-16,22-23H,2-5,10-13H2,1H3;1-2H3
InChIKeyJRMJCWPHBSSXQR-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.21
Rot. Bonds11

About ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol

ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol (PubChem CID 144648391) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol.

Molecular Properties

Compound Nameethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol
PubChem CID144648391
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Nameethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol
SMILESCC.CCCCCc1ccc(-c2cc(O)cc(OCCOCCO)c2)cc1
InChIInChI=1S/C21H28O4.C2H6/c1-2-3-4-5-17-6-8-18(9-7-17)19-14-20(23)16-21(15-19)25-13-12-24-11-10-22;1-2/h6-9,14-16,22-23H,2-5,10-13H2,1H3;1-2H3
InChIKeyJRMJCWPHBSSXQR-UHFFFAOYSA-N
XLogP5.21
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol 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-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
2-[2-[2-[4-[25,34-didodecyl-11-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaenyl]phenoxy]ethoxy]ethoxy]ethanol
CID 101463128
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-(4-pentylphenyl)phenoxy]acetate;5-(4-pentylphenyl)benzene-1,3-diol
CID 160636627
2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
CID 57157923
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-nonylphenol
CID 23293321
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-(4-pentylphenyl)phenoxy]acetate
CID 144648402

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol?
The IUPAC name of ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol (CID 144648391) is ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol.
What is the SMILES notation for ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol?
The canonical SMILES for ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol is CC.CCCCCc1ccc(-c2cc(O)cc(OCCOCCO)c2)cc1.
What is the InChIKey of ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol?
The InChIKey is JRMJCWPHBSSXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4.C2H6/c1-2-3-4-5-17-6-8-18(9-7-17)19-14-20(23)16-21(15-19)25-13-12-24-11-10-22;1-2/h6-9,14-16,22-23H,2-5,10-13H2,1H3;1-2H3.
What are the key properties of ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol?
ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol has a molecular weight of 374.52 g/mol, XLogP of 5.21, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(2-hydroxyethoxy)ethoxy]-5-(4-pentylphenyl)phenol is sourced from PubChem (CID 144648391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).