1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one

C119H121Cl5N28O14 — CID 158154978

IUPAC1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one
SMILESCCc1cc(C)ccc1OCc1ccccc1-n1nnn(C)c1=O.Cc1cc(C)c(OCc2ccccc2-n2nnn(C)c2=O)cc1C.Cc1cc(C)c(OCc2ccccc2-n2nnn(C)c2=O)cc1Cl.Cc1cc(Cl)c(OCc2ccccc2-n2nnn(C)c2=O)cc1C.Cc1cc(Cl)c(OCc2ccccc2-n2nnn(C)c2=O)cc1Cl.Cc1ccc(OCc2ccccc2-n2nnn(C)c2=O)c(C)c1.Cc1ccc(OCc2ccccc2-n2nnn(C)c2=O)c(Cl)c1
InChIInChI=1S/2C18H20N4O2.2C17H17ClN4O2.C17H18N4O2.C16H14Cl2N4O2.C16H15ClN4O2/c1-12-9-14(3)17(10-13(12)2)24-11-15-7-5-6-8-16(15)22-18(23)21(4)19-20-22;1-4-14-11-13(2)9-10-17(14)24-12-15-7-5-6-8-16(15)22-18(23)21(3)19-20-22;1-11-8-14(18)16(9-12(11)2)24-10-13-6-4-5-7-15(13)22-17(23)21(3)19-20-22;1-11-8-12(2)16(9-14(11)18)24-10-13-6-4-5-7-15(13)22-17(23)21(3)19-20-22;1-12-8-9-16(13(2)10-12)23-11-14-6-4-5-7-15(14)21-17(22)20(3)18-19-21;1-10-7-13(18)15(8-12(10)17)24-9-11-5-3-4-6-14(11)22-16(23)21(2)19-20-22;1-11-7-8-15(13(17)9-11)23-10-12-5-3-4-6-14(12)21-16(22)20(2)18-19-21/h5-10H,11H2,1-4H3;5-11H,4,12H2,1-3H3;2*4-9H,10H2,1-3H3;4-10H,11H2,1-3H3;3-8H,9H2,1-2H3;3-9H,10H2,1-2H3
InChIKeyFVOKHXWUKOBLHY-UHFFFAOYSA-N
MW2344.72 g/mol
LogP18.35
Rot. Bonds29

About 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one

1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one (PubChem CID 158154978) has the molecular formula C119H121Cl5N28O14 and a molecular weight of 2344.72 g/mol. Its IUPAC name is 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one.

Molecular Properties

Compound Name1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one
PubChem CID158154978
Molecular FormulaC119H121Cl5N28O14
Molecular Weight2344.72 g/mol
Exact Mass2340.81
IUPAC Name1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one
SMILESCCc1cc(C)ccc1OCc1ccccc1-n1nnn(C)c1=O.Cc1cc(C)c(OCc2ccccc2-n2nnn(C)c2=O)cc1C.Cc1cc(C)c(OCc2ccccc2-n2nnn(C)c2=O)cc1Cl.Cc1cc(Cl)c(OCc2ccccc2-n2nnn(C)c2=O)cc1C.Cc1cc(Cl)c(OCc2ccccc2-n2nnn(C)c2=O)cc1Cl.Cc1ccc(OCc2ccccc2-n2nnn(C)c2=O)c(C)c1.Cc1ccc(OCc2ccccc2-n2nnn(C)c2=O)c(Cl)c1
InChIInChI=1S/2C18H20N4O2.2C17H17ClN4O2.C17H18N4O2.C16H14Cl2N4O2.C16H15ClN4O2/c1-12-9-14(3)17(10-13(12)2)24-11-15-7-5-6-8-16(15)22-18(23)21(4)19-20-22;1-4-14-11-13(2)9-10-17(14)24-12-15-7-5-6-8-16(15)22-18(23)21(3)19-20-22;1-11-8-14(18)16(9-12(11)2)24-10-13-6-4-5-7-15(13)22-17(23)21(3)19-20-22;1-11-8-12(2)16(9-14(11)18)24-10-13-6-4-5-7-15(13)22-17(23)21(3)19-20-22;1-12-8-9-16(13(2)10-12)23-11-14-6-4-5-7-15(14)21-17(22)20(3)18-19-21;1-10-7-13(18)15(8-12(10)17)24-9-11-5-3-4-6-14(11)22-16(23)21(2)19-20-22;1-11-7-8-15(13(17)9-11)23-10-12-5-3-4-6-14(12)21-16(22)20(2)18-19-21/h5-10H,11H2,1-4H3;5-11H,4,12H2,1-3H3;2*4-9H,10H2,1-3H3;4-10H,11H2,1-3H3;3-8H,9H2,1-2H3;3-9H,10H2,1-2H3
InChIKeyFVOKHXWUKOBLHY-UHFFFAOYSA-N
XLogP18.35
TPSA433.58 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002344.72
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one with MolForge

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Related Compounds

1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 118967377
2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline
CID 159037696
2-[(2-bromo-4-methylphenoxy)methyl]benzoic acid;2-[(2-chloro-4,5-dimethylphenoxy)methyl]benzoic acid;2-[(5-chloro-2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-chloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,5-dichloro-4-methylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2-ethyl-4-methylphenoxy)methyl]benzoic acid;2-[(2,4,5-trimethylphenoxy)methyl]benzoic acid
CID 159280195
1-[2-[(2-ethyl-4-hydroxyphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 90266775
1-[2-[[4-(6-chloro-2-pyridinyl)-2,5-dimethylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367390
1-[2-[[4-(6-chloro-2-pyridinyl)-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 121367349
1-[2-[[4-[(Z)-N-[(2-chlorophenyl)methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]methyl]phenyl]-4-methyltetrazol-5-one
CID 172938052
1-[2-[(2-chloro-4-methylphenoxy)methyl]-3-iodophenyl]-4-methyltetrazol-5-one
CID 118535557
1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]-3-(trifluoromethyl)phenyl]-4-methyltetrazol-5-one
CID 118244103
1-[2-[[4-(3-chloro-2-pyridinyl)-2-methylphenoxy]methyl]-3-ethylphenyl]-4-methyltetrazol-5-one
CID 90467886
1-[3-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 118244091
1-[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one
CID 118244060

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one?
The IUPAC name of 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one (CID 158154978) is 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one.
What is the SMILES notation for 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one?
The canonical SMILES for 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one is CCc1cc(C)ccc1OCc1ccccc1-n1nnn(C)c1=O.Cc1cc(C)c(OCc2ccccc2-n2nnn(C)c2=O)cc1C.Cc1cc(C)c(OCc2ccccc2-n2nnn(C)c2=O)cc1Cl.Cc1cc(Cl)c(OCc2ccccc2-n2nnn(C)c2=O)cc1C.Cc1cc(Cl)c(OCc2ccccc2-n2nnn(C)c2=O)cc1Cl.Cc1ccc(OCc2ccccc2-n2nnn(C)c2=O)c(C)c1.Cc1ccc(OCc2ccccc2-n2nnn(C)c2=O)c(Cl)c1.
What is the InChIKey of 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one?
The InChIKey is FVOKHXWUKOBLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20N4O2.2C17H17ClN4O2.C17H18N4O2.C16H14Cl2N4O2.C16H15ClN4O2/c1-12-9-14(3)17(10-13(12)2)24-11-15-7-5-6-8-16(15)22-18(23)21(4)19-20-22;1-4-14-11-13(2)9-10-17(14)24-12-15-7-5-6-8-16(15)22-18(23)21(3)19-20-22;1-11-8-14(18)16(9-12(11)2)24-10-13-6-4-5-7-15(13)22-17(23)21(3)19-20-22;1-11-8-12(2)16(9-14(11)18)24-10-13-6-4-5-7-15(13)22-17(23)21(3)19-20-22;1-12-8-9-16(13(2)10-12)23-11-14-6-4-5-7-15(14)21-17(22)20(3)18-19-21;1-10-7-13(18)15(8-12(10)17)24-9-11-5-3-4-6-14(11)22-16(23)21(2)19-20-22;1-11-7-8-15(13(17)9-11)23-10-12-5-3-4-6-14(12)21-16(22)20(2)18-19-21/h5-10H,11H2,1-4H3;5-11H,4,12H2,1-3H3;2*4-9H,10H2,1-3H3;4-10H,11H2,1-3H3;3-8H,9H2,1-2H3;3-9H,10H2,1-2H3.
What are the key properties of 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one?
1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one has a molecular weight of 2344.72 g/mol, XLogP of 18.35, 29 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-4,5-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(5-chloro-2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,5-dichloro-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-4-methyltetrazol-5-one;1-methyl-4-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]tetrazol-5-one is sourced from PubChem (CID 158154978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).