2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol

C28H34O4 — CID 139685238

IUPAC2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol
SMILESCCC(CC)C(c1ccccc1)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
InChIInChI=1S/C28H34O4/c1-3-22(4-2)28(23-8-6-5-7-9-23,24-10-14-26(15-11-24)31-20-18-29)25-12-16-27(17-13-25)32-21-19-30/h5-17,22,29-30H,3-4,18-21H2,1-2H3
InChIKeyMVKQNTYUSMNSAD-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.20
Rot. Bonds12

About 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol

2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol (PubChem CID 139685238) has the molecular formula C28H34O4 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol
PubChem CID139685238
Molecular FormulaC28H34O4
Molecular Weight434.58 g/mol
Exact Mass434.25
IUPAC Name2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol
SMILESCCC(CC)C(c1ccccc1)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
InChIInChI=1S/C28H34O4/c1-3-22(4-2)28(23-8-6-5-7-9-23,24-10-14-26(15-11-24)31-20-18-29)25-12-16-27(17-13-25)32-21-19-30/h5-17,22,29-30H,3-4,18-21H2,1-2H3
InChIKeyMVKQNTYUSMNSAD-UHFFFAOYSA-N
XLogP5.20
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Bisphenol A diglycidyl ether
CID 2286
Propargite
CID 4936
Etofenprox
CID 71245
Nonaethylene Glycol Nonylphenyl Ether
CID 72385
Ospemifene
CID 3036505
Bisphenol A diglycidyl ether dimethacrylate
CID 15284
Triton X 100
CID 5590
4-Nonylphenol diethoxylate
CID 24773
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
1,1,2,2-Tetrakis(4-glycidoxyphenyl)ethane
CID 62630
Clinofibrate
CID 2787
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol (CID 139685238) is 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol is CCC(CC)C(c1ccccc1)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol?
The InChIKey is MVKQNTYUSMNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O4/c1-3-22(4-2)28(23-8-6-5-7-9-23,24-10-14-26(15-11-24)31-20-18-29)25-12-16-27(17-13-25)32-21-19-30/h5-17,22,29-30H,3-4,18-21H2,1-2H3.
What are the key properties of 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol?
2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol has a molecular weight of 434.58 g/mol, XLogP of 5.20, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-ethyl-1-[4-(2-hydroxyethoxy)phenyl]-1-phenylbutyl]phenoxy]ethanol is sourced from PubChem (CID 139685238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).