5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole

C18H18Cl2N4O — CID 3166741

IUPAC5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole
SMILESCCCCOc1ccc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H18Cl2N4O/c1-2-3-11-25-14-9-7-13(8-10-14)18-21-23-24(22-18)12-15-16(19)5-4-6-17(15)20/h4-10H,2-3,11-12H2,1H3
InChIKeyGEAXCMPRNGNKFW-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.87
Rot. Bonds7

About 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole

5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole (PubChem CID 3166741) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole
PubChem CID3166741
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole
SMILESCCCCOc1ccc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H18Cl2N4O/c1-2-3-11-25-14-9-7-13(8-10-14)18-21-23-24(22-18)12-15-16(19)5-4-6-17(15)20/h4-10H,2-3,11-12H2,1H3
InChIKeyGEAXCMPRNGNKFW-UHFFFAOYSA-N
XLogP4.87
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-butoxyphenyl)tetrazol-2-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 3184427
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
CID 3136442
3-chloro-2-[(5-phenyltetrazol-2-yl)methyl]aniline
CID 63747473
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
[4-(2-decyltetrazol-5-yl)phenyl] 4-decoxybenzoate
CID 102108808
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
CID 2526533
1-piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 644791
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3166708
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3136446
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
CID 4809389

Frequently Asked Questions

What is the IUPAC name of 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole?
The IUPAC name of 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole (CID 3166741) is 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole.
What is the SMILES notation for 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole?
The canonical SMILES for 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole is CCCCOc1ccc(-c2nnn(Cc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole?
The InChIKey is GEAXCMPRNGNKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-2-3-11-25-14-9-7-13(8-10-14)18-21-23-24(22-18)12-15-16(19)5-4-6-17(15)20/h4-10H,2-3,11-12H2,1H3.
What are the key properties of 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole?
5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole has a molecular weight of 377.28 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butoxyphenyl)-2-[(2,6-dichlorophenyl)methyl]tetrazole is sourced from PubChem (CID 3166741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).