2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol

C14H13N3O3 — CID 132608233

IUPAC2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol
SMILESCOc1ccc2nnn(-c3ccc(O)c(OC)c3)c2c1
InChIInChI=1S/C14H13N3O3/c1-19-10-4-5-11-12(8-10)17(16-15-11)9-3-6-13(18)14(7-9)20-2/h3-8,18H,1-2H3
InChIKeyRQUHCADBLKQKFM-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.14
Rot. Bonds3

About 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol

2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol (PubChem CID 132608233) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol
PubChem CID132608233
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol
SMILESCOc1ccc2nnn(-c3ccc(O)c(OC)c3)c2c1
InChIInChI=1S/C14H13N3O3/c1-19-10-4-5-11-12(8-10)17(16-15-11)9-3-6-13(18)14(7-9)20-2/h3-8,18H,1-2H3
InChIKeyRQUHCADBLKQKFM-UHFFFAOYSA-N
XLogP2.14
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 101485462
CID 101485462
4-(benzotriazol-2-yl)-2-methoxyphenol
CID 23329648
[4-(6-methoxybenzotriazol-1-yl)phenyl]methylsulfonylcarbamic acid
CID 174155352
1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 175194463
6-(4-ethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 162717005
(1S)-1-[4-(5-methoxybenzotriazol-1-yl)phenyl]ethanamine
CID 164599725
1-(3-methoxyphenyl)triazolo[4,5-c]pyridine
CID 117159499
4-(benzotriazol-1-ylmethyl)-2-methoxyphenol
CID 6498136
1-(3-methoxyphenyl)benzotriazole-5-carboxylic acid
CID 29077186
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine
CID 89432212
6-(4-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)benzotriazole
CID 162717000

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol?
The IUPAC name of 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol (CID 132608233) is 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol?
The canonical SMILES for 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol is COc1ccc2nnn(-c3ccc(O)c(OC)c3)c2c1.
What is the InChIKey of 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol?
The InChIKey is RQUHCADBLKQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-19-10-4-5-11-12(8-10)17(16-15-11)9-3-6-13(18)14(7-9)20-2/h3-8,18H,1-2H3.
What are the key properties of 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol?
2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol has a molecular weight of 271.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(6-methoxybenzotriazol-1-yl)phenol is sourced from PubChem (CID 132608233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).