5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole

C23H24N4O2 — CID 19349937

IUPAC5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole
SMILESCOc1ccc(C(C#Cc2ccccc2)Cc2nn[nH]n2)cc1OC1CCCC1
InChIInChI=1S/C23H24N4O2/c1-28-21-14-13-18(15-22(21)29-20-9-5-6-10-20)19(16-23-24-26-27-25-23)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3,(H,24,25,26,27)
InChIKeyGGHXIIWLVZJTJL-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.91
Rot. Bonds6

About 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole

5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole (PubChem CID 19349937) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole
PubChem CID19349937
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole
SMILESCOc1ccc(C(C#Cc2ccccc2)Cc2nn[nH]n2)cc1OC1CCCC1
InChIInChI=1S/C23H24N4O2/c1-28-21-14-13-18(15-22(21)29-20-9-5-6-10-20)19(16-23-24-26-27-25-23)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3,(H,24,25,26,27)
InChIKeyGGHXIIWLVZJTJL-UHFFFAOYSA-N
XLogP3.91
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-methyl-1,2,4-thiadiazole
CID 54196783
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-5-methyl-1,3-oxazole
CID 54104552
3-[5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]tetrazol-1-yl]propanenitrile
CID 54381916
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethyl-5-phenylpent-4-ynamide
CID 54555142
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-oxobutanamide
CID 54216808
5-[3-[(3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-3-methyl-1,2,4-oxadiazole
CID 70065651
1-cyano-2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-3-(2-phenylethyl)guanidine
CID 54245505
5-[4-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(4-methyl-1,3-oxazol-2-yl)but-1-ynyl]phenyl]-3-methyl-1,2,4-oxadiazole
CID 56988061
methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-dibenzo-p-dioxin-2-ylpent-4-ynoate
CID 19349943
1-cyano-3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2-(pyridin-3-ylmethyl)guanidine
CID 54362221
2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
CID 57236952
2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
CID 102162287

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole?
The IUPAC name of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole (CID 19349937) is 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole is COc1ccc(C(C#Cc2ccccc2)Cc2nn[nH]n2)cc1OC1CCCC1.
What is the InChIKey of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole?
The InChIKey is GGHXIIWLVZJTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-28-21-14-13-18(15-22(21)29-20-9-5-6-10-20)19(16-23-24-26-27-25-23)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-15,19-20H,5-6,9-10,16H2,1H3,(H,24,25,26,27).
What are the key properties of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole?
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole has a molecular weight of 388.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenylbut-3-ynyl]-2H-tetrazole is sourced from PubChem (CID 19349937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).