methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate

C14H11N3O3 — CID 13000705

IUPACmethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O3/c1-20-14(19)9-6-7-13(18)12(8-9)17-15-10-4-2-3-5-11(10)16-17/h2-8,18H,1H3
InChIKeyMNKRMQUCJICCRN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.91
Rot. Bonds2

About methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate

methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate (PubChem CID 13000705) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
PubChem CID13000705
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Namemethyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate
SMILESCOC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C14H11N3O3/c1-20-14(19)9-6-7-13(18)12(8-9)17-15-10-4-2-3-5-11(10)16-17/h2-8,18H,1H3
InChIKeyMNKRMQUCJICCRN-UHFFFAOYSA-N
XLogP1.91
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
The IUPAC name of methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate (CID 13000705) is methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
The canonical SMILES for methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate is COC(=O)c1ccc(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
The InChIKey is MNKRMQUCJICCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-14(19)9-6-7-13(18)12(8-9)17-15-10-4-2-3-5-11(10)16-17/h2-8,18H,1H3.
What are the key properties of methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate?
methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate has a molecular weight of 269.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzotriazol-2-yl)-4-hydroxybenzoate is sourced from PubChem (CID 13000705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).