2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol

C19H23N3O2 — CID 15219388

IUPAC2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol
SMILESCCCCC(CC)Oc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C19H23N3O2/c1-3-5-8-14(4-2)24-15-11-12-18(19(23)13-15)22-20-16-9-6-7-10-17(16)21-22/h6-7,9-14,23H,3-5,8H2,1-2H3
InChIKeyOJQRNFDFHICXBU-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.47
Rot. Bonds7

About 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol

2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol (PubChem CID 15219388) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol
PubChem CID15219388
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol
SMILESCCCCC(CC)Oc1ccc(-n2nc3ccccc3n2)c(O)c1
InChIInChI=1S/C19H23N3O2/c1-3-5-8-14(4-2)24-15-11-12-18(19(23)13-15)22-20-16-9-6-7-10-17(16)21-22/h6-7,9-14,23H,3-5,8H2,1-2H3
InChIKeyOJQRNFDFHICXBU-UHFFFAOYSA-N
XLogP4.47
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol?
The IUPAC name of 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol (CID 15219388) is 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol is CCCCC(CC)Oc1ccc(-n2nc3ccccc3n2)c(O)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol?
The InChIKey is OJQRNFDFHICXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-5-8-14(4-2)24-15-11-12-18(19(23)13-15)22-20-16-9-6-7-10-17(16)21-22/h6-7,9-14,23H,3-5,8H2,1-2H3.
What are the key properties of 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol?
2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol has a molecular weight of 325.41 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-5-heptan-3-yloxyphenol is sourced from PubChem (CID 15219388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).