sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride

C24H32FN4NaO3 — CID 173315511

IUPACsodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
SMILESCCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1.[H-].[Na+]
InChIInChI=1S/C24H31FN4O3.Na.H/c1-4-18-14-22(32-16-17-8-10-19(25)11-9-17)20(30)15-21(18)31-13-7-5-6-12-24(2,3)23-26-28-29-27-23;;/h8-11,14-15,30H,4-7,12-13,16H2,1-3H3,(H,26,27,28,29);;/q;+1;-1
InChIKeyXWBQGRSWIVOJEE-UHFFFAOYSA-N
MW466.53 g/mol
LogP2.22
Rot. Bonds12

About sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride

sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride (PubChem CID 173315511) has the molecular formula C24H32FN4NaO3 and a molecular weight of 466.53 g/mol. Its IUPAC name is sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride.

Molecular Properties

Compound Namesodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
PubChem CID173315511
Molecular FormulaC24H32FN4NaO3
Molecular Weight466.53 g/mol
Exact Mass466.24
IUPAC Namesodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
SMILESCCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1.[H-].[Na+]
InChIInChI=1S/C24H31FN4O3.Na.H/c1-4-18-14-22(32-16-17-8-10-19(25)11-9-17)20(30)15-21(18)31-13-7-5-6-12-24(2,3)23-26-28-29-27-23;;/h8-11,14-15,30H,4-7,12-13,16H2,1-3H3,(H,26,27,28,29);;/q;+1;-1
InChIKeyXWBQGRSWIVOJEE-UHFFFAOYSA-N
XLogP2.22
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride 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

disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
CID 173315832
2-cyclopentyloxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol
CID 18963059
2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol
CID 10206349
CID 70149515
CID 70149515
sodium 2-(3,5-dichlorophenyl)-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenolate
CID 23669744
4-ethyl-2-(4-fluorophenyl)-5-[3-[2-[2-(2H-tetrazol-5-yl)ethyl]phenoxy]propoxy]phenol
CID 10695364
3-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-6-[4-(2H-tetrazol-5-yl)butoxy]phenyl]propanoic acid
CID 10793318
5-[2-[2-[3-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]propoxy]phenyl]ethyl]-2H-tetrazole
CID 10840451
ethane;5-[(5-ethyl-2-fluorophenoxy)methyl]-2H-tetrazole
CID 142360325
N-[[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2H-tetrazol-5-amine
CID 66541905
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-methylhexan-2-yl)-2H-tetrazole
CID 166949125

Frequently Asked Questions

What is the IUPAC name of sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
The IUPAC name of sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride (CID 173315511) is sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride.
What is the SMILES notation for sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
The canonical SMILES for sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride is CCc1cc(OCc2ccc(F)cc2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1.[H-].[Na+].
What is the InChIKey of sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
The InChIKey is XWBQGRSWIVOJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3.Na.H/c1-4-18-14-22(32-16-17-8-10-19(25)11-9-17)20(30)15-21(18)31-13-7-5-6-12-24(2,3)23-26-28-29-27-23;;/h8-11,14-15,30H,4-7,12-13,16H2,1-3H3,(H,26,27,28,29);;/q;+1;-1.
What are the key properties of sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride?
sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride has a molecular weight of 466.53 g/mol, XLogP of 2.22, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-ethyl-2-[(4-fluorophenyl)methoxy]-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride is sourced from PubChem (CID 173315511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).