1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one

C149H154N24O12 — CID 161499136

IUPAC1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one
SMILESCc1cc(-c2c(C)cccc2C)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O.Cc1cc(-c2cccc(C(C)(C)C)c2)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O.Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)cc1.Cc1ccc(C)c(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1.Cc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1.Cc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1
InChIInChI=1S/C27H30N4O2.2C25H26N4O2.3C24H24N4O2/c1-18-9-7-12-24(31-26(32)30(6)28-29-31)23(18)17-33-25-14-13-21(15-19(25)2)20-10-8-11-22(16-20)27(3,4)5;1-16-8-7-11-22(29-25(30)28(5)26-27-29)21(16)15-31-23-13-12-20(14-19(23)4)24-17(2)9-6-10-18(24)3;1-16-9-10-18(3)21(13-16)20-11-12-24(19(4)14-20)31-15-22-17(2)7-6-8-23(22)29-25(30)28(5)26-27-29;2*1-16-7-5-9-19(13-16)20-11-12-23(18(3)14-20)30-15-21-17(2)8-6-10-22(21)28-24(29)27(4)25-26-28;1-16-8-10-19(11-9-16)20-12-13-23(18(3)14-20)30-15-21-17(2)6-5-7-22(21)28-24(29)27(4)25-26-28/h7-16H,17H2,1-6H3;2*6-14H,15H2,1-5H3;3*5-14H,15H2,1-4H3
InChIKeyWGPKDMCHADSTDG-UHFFFAOYSA-N
MW2473.03 g/mol
LogP26.43
Rot. Bonds30

About 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one

1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one (PubChem CID 161499136) has the molecular formula C149H154N24O12 and a molecular weight of 2473.03 g/mol. Its IUPAC name is 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one
PubChem CID161499136
Molecular FormulaC149H154N24O12
Molecular Weight2473.03 g/mol
Exact Mass2471.22
IUPAC Name1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one
SMILESCc1cc(-c2c(C)cccc2C)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O.Cc1cc(-c2cccc(C(C)(C)C)c2)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O.Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)cc1.Cc1ccc(C)c(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1.Cc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1.Cc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1
InChIInChI=1S/C27H30N4O2.2C25H26N4O2.3C24H24N4O2/c1-18-9-7-12-24(31-26(32)30(6)28-29-31)23(18)17-33-25-14-13-21(15-19(25)2)20-10-8-11-22(16-20)27(3,4)5;1-16-8-7-11-22(29-25(30)28(5)26-27-29)21(16)15-31-23-13-12-20(14-19(23)4)24-17(2)9-6-10-18(24)3;1-16-9-10-18(3)21(13-16)20-11-12-24(19(4)14-20)31-15-22-17(2)7-6-8-23(22)29-25(30)28(5)26-27-29;2*1-16-7-5-9-19(13-16)20-11-12-23(18(3)14-20)30-15-21-17(2)8-6-10-22(21)28-24(29)27(4)25-26-28;1-16-8-10-19(11-9-16)20-12-13-23(18(3)14-20)30-15-21-17(2)6-5-7-22(21)28-24(29)27(4)25-26-28/h7-16H,17H2,1-6H3;2*6-14H,15H2,1-5H3;3*5-14H,15H2,1-4H3
InChIKeyWGPKDMCHADSTDG-UHFFFAOYSA-N
XLogP26.43
TPSA371.64 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002473.03
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one (CID 161499136) is 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one is Cc1cc(-c2c(C)cccc2C)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O.Cc1cc(-c2cccc(C(C)(C)C)c2)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O.Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)cc1.Cc1ccc(C)c(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1.Cc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1.Cc1cccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)c1.
What is the InChIKey of 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one?
The InChIKey is WGPKDMCHADSTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.2C25H26N4O2.3C24H24N4O2/c1-18-9-7-12-24(31-26(32)30(6)28-29-31)23(18)17-33-25-14-13-21(15-19(25)2)20-10-8-11-22(16-20)27(3,4)5;1-16-8-7-11-22(29-25(30)28(5)26-27-29)21(16)15-31-23-13-12-20(14-19(23)4)24-17(2)9-6-10-18(24)3;1-16-9-10-18(3)21(13-16)20-11-12-24(19(4)14-20)31-15-22-17(2)7-6-8-23(22)29-25(30)28(5)26-27-29;2*1-16-7-5-9-19(13-16)20-11-12-23(18(3)14-20)30-15-21-17(2)8-6-10-22(21)28-24(29)27(4)25-26-28;1-16-8-10-19(11-9-16)20-12-13-23(18(3)14-20)30-15-21-17(2)6-5-7-22(21)28-24(29)27(4)25-26-28/h7-16H,17H2,1-6H3;2*6-14H,15H2,1-5H3;3*5-14H,15H2,1-4H3.
What are the key properties of 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one?
1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one has a molecular weight of 2473.03 g/mol, XLogP of 26.43, 30 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(3-tert-butylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,5-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;1-[2-[[4-(2,6-dimethylphenyl)-2-methylphenoxy]methyl]-3-methylphenyl]-4-methyltetrazol-5-one;bis(1-methyl-4-[3-methyl-2-[[2-methyl-4-(3-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one);1-methyl-4-[3-methyl-2-[[2-methyl-4-(4-methylphenyl)phenoxy]methyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 161499136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).