4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol

C26H27FN4O3 — CID 10695364

IUPAC4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol
SMILESCCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccccc1CCc1nn[nH]n1
InChIInChI=1S/C26H27FN4O3/c1-2-18-16-22(19-8-11-21(27)12-9-19)23(32)17-25(18)34-15-5-14-33-24-7-4-3-6-20(24)10-13-26-28-30-31-29-26/h3-4,6-9,11-12,16-17,32H,2,5,10,13-15H2,1H3,(H,28,29,30,31)
InChIKeyUXECUVSLWWKGBH-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.91
Rot. Bonds11

About 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol

4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol (PubChem CID 10695364) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol.

Molecular Properties

Compound Name4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol
PubChem CID10695364
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol
SMILESCCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccccc1CCc1nn[nH]n1
InChIInChI=1S/C26H27FN4O3/c1-2-18-16-22(19-8-11-21(27)12-9-19)23(32)17-25(18)34-15-5-14-33-24-7-4-3-6-20(24)10-13-26-28-30-31-29-26/h3-4,6-9,11-12,16-17,32H,2,5,10,13-15H2,1H3,(H,28,29,30,31)
InChIKeyUXECUVSLWWKGBH-UHFFFAOYSA-N
XLogP4.91
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]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

5-[2-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]phenyl]ethyl]-2H-tetrazole
CID 10840451
3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-6-[4-(2H-tetrazol-5-yl)butoxy]phenyl]propanoic acid
CID 10793318
3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanamide
CID 140974164
ethyl 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]-6-[4-(2H-tetrazol-5-yl)butoxy]phenyl]propanoate
CID 11802820
5-[2-(2-carboxyethyl)-3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenoxy]pentanoic acid
CID 10554772
methyl 3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-6-hydroxyphenyl]propanoate
CID 19375778
2-[[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]methyl]benzoic acid
CID 10745069
methyl 2-[[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]methyl]benzoate
CID 10721539
3-[2-[3-[2-bromo-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]phenyl]propanoic acid
CID 19375837
2-[3-[4-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]butoxy]-2-propylphenoxy]benzoic acid
CID 10578750
methyl 2-[3-[5-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]pentoxy]-2-propylphenoxy]benzoate
CID 10579225
CID 70149515
CID 70149515

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol?
The IUPAC name of 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol (CID 10695364) is 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol.
What is the SMILES notation for 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol?
The canonical SMILES for 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol is CCc1cc(-c2ccc(F)cc2)c(O)cc1OCCCOc1ccccc1CCc1nn[nH]n1.
What is the InChIKey of 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol?
The InChIKey is UXECUVSLWWKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-2-18-16-22(19-8-11-21(27)12-9-19)23(32)17-25(18)34-15-5-14-33-24-7-4-3-6-20(24)10-13-26-28-30-31-29-26/h3-4,6-9,11-12,16-17,32H,2,5,10,13-15H2,1H3,(H,28,29,30,31).
What are the key properties of 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol?
4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol has a molecular weight of 462.53 g/mol, XLogP of 4.91, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol is sourced from PubChem (CID 10695364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).