5-bromo-1-methyl-7-phenylmethoxybenzotriazole

C14H12BrN3O — CID 162414576

IUPAC5-bromo-1-methyl-7-phenylmethoxybenzotriazole
SMILESCn1nnc2cc(Br)cc(OCc3ccccc3)c21
InChIInChI=1S/C14H12BrN3O/c1-18-14-12(16-17-18)7-11(15)8-13(14)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeySEQIZNAURMPSQT-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.31
Rot. Bonds3

About 5-bromo-1-methyl-7-phenylmethoxybenzotriazole

5-bromo-1-methyl-7-phenylmethoxybenzotriazole (PubChem CID 162414576) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 5-bromo-1-methyl-7-phenylmethoxybenzotriazole.

Molecular Properties

Compound Name5-bromo-1-methyl-7-phenylmethoxybenzotriazole
PubChem CID162414576
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name5-bromo-1-methyl-7-phenylmethoxybenzotriazole
SMILESCn1nnc2cc(Br)cc(OCc3ccccc3)c21
InChIInChI=1S/C14H12BrN3O/c1-18-14-12(16-17-18)7-11(15)8-13(14)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeySEQIZNAURMPSQT-UHFFFAOYSA-N
XLogP3.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
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1-(4-bromophenyl)-5,7-difluoro-6-phenylmethoxybenzotriazole
CID 163233348
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CID 150465716
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CID 178032922
4-bromo-1-tert-butyl-2-phenylmethoxybenzene
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[(4-bromo-2-phenylmethoxyphenyl)methylideneamino]thiourea
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ethyl 6-bromo-2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
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4-bromo-1-methylsulfonyl-2-phenylmethoxybenzene
CID 75487824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-7-phenylmethoxybenzotriazole?
The IUPAC name of 5-bromo-1-methyl-7-phenylmethoxybenzotriazole (CID 162414576) is 5-bromo-1-methyl-7-phenylmethoxybenzotriazole.
What is the SMILES notation for 5-bromo-1-methyl-7-phenylmethoxybenzotriazole?
The canonical SMILES for 5-bromo-1-methyl-7-phenylmethoxybenzotriazole is Cn1nnc2cc(Br)cc(OCc3ccccc3)c21.
What is the InChIKey of 5-bromo-1-methyl-7-phenylmethoxybenzotriazole?
The InChIKey is SEQIZNAURMPSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-18-14-12(16-17-18)7-11(15)8-13(14)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-1-methyl-7-phenylmethoxybenzotriazole?
5-bromo-1-methyl-7-phenylmethoxybenzotriazole has a molecular weight of 318.17 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-7-phenylmethoxybenzotriazole is sourced from PubChem (CID 162414576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).