1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole

C20H15Cl2N3 — CID 138652532

IUPAC1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole
SMILESCCc1ccc(-c2cc(Cl)c(-n3nnc4ccccc43)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl2N3/c1-2-13-7-9-14(10-8-13)15-11-16(21)20(17(22)12-15)25-19-6-4-3-5-18(19)23-24-25/h3-12H,2H2,1H3
InChIKeyYSMOALLACDWGFQ-UHFFFAOYSA-N
MW368.27 g/mol
LogP5.96
Rot. Bonds3

About 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole

1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole (PubChem CID 138652532) has the molecular formula C20H15Cl2N3 and a molecular weight of 368.27 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole
PubChem CID138652532
Molecular FormulaC20H15Cl2N3
Molecular Weight368.27 g/mol
Exact Mass367.06
IUPAC Name1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole
SMILESCCc1ccc(-c2cc(Cl)c(-n3nnc4ccccc43)c(Cl)c2)cc1
InChIInChI=1S/C20H15Cl2N3/c1-2-13-7-9-14(10-8-13)15-11-16(21)20(17(22)12-15)25-19-6-4-3-5-18(19)23-24-25/h3-12H,2H2,1H3
InChIKeyYSMOALLACDWGFQ-UHFFFAOYSA-N
XLogP5.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.27
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-3,5-dinitrobenzene;1-hydroxybenzotriazole
CID 174390862
1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene
CID 137427176
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
N-[[4-(benzotriazol-1-yl)-3-chlorophenyl]methyl]cyclopropanamine
CID 81144575
6-(benzotriazol-1-yl)-3,5-dichloro-N-methylpyridin-2-amine
CID 102760218
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
CID 129169740
1-(6-ethyl-3-pyridinyl)benzotriazole
CID 71251424
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
methyl 6-amino-3-(benzotriazol-1-yl)-2-chloropyridine-4-carboxylate
CID 171466328
1-[4-prop-2-enyl-2-(trifluoromethyl)phenyl]benzotriazole
CID 146229284
1-(6-chloropyridazin-3-yl)benzotriazole
CID 43213118

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole?
The IUPAC name of 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole (CID 138652532) is 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole.
What is the SMILES notation for 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole?
The canonical SMILES for 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole is CCc1ccc(-c2cc(Cl)c(-n3nnc4ccccc43)c(Cl)c2)cc1.
What is the InChIKey of 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole?
The InChIKey is YSMOALLACDWGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3/c1-2-13-7-9-14(10-8-13)15-11-16(21)20(17(22)12-15)25-19-6-4-3-5-18(19)23-24-25/h3-12H,2H2,1H3.
What are the key properties of 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole?
1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole has a molecular weight of 368.27 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(4-ethylphenyl)phenyl]benzotriazole is sourced from PubChem (CID 138652532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).