5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol

C26H18Cl2N8O4 — CID 157441605

IUPAC5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol
SMILESOc1cc(Cl)ccc1Oc1ccccc1-c1nn[nH]n1.Oc1cc(Cl)ccc1Oc1ccccc1-c1nn[nH]n1
InChIInChI=1S/2C13H9ClN4O2/c2*14-8-5-6-12(10(19)7-8)20-11-4-2-1-3-9(11)13-15-17-18-16-13/h2*1-7,19H,(H,15,16,17,18)
InChIKeyBRSXAZHUJNPGQT-UHFFFAOYSA-N
MW577.39 g/mol
LogP6.04
Rot. Bonds6

About 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol

5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol (PubChem CID 157441605) has the molecular formula C26H18Cl2N8O4 and a molecular weight of 577.39 g/mol. Its IUPAC name is 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol.

Molecular Properties

Compound Name5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol
PubChem CID157441605
Molecular FormulaC26H18Cl2N8O4
Molecular Weight577.39 g/mol
Exact Mass576.08
IUPAC Name5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol
SMILESOc1cc(Cl)ccc1Oc1ccccc1-c1nn[nH]n1.Oc1cc(Cl)ccc1Oc1ccccc1-c1nn[nH]n1
InChIInChI=1S/2C13H9ClN4O2/c2*14-8-5-6-12(10(19)7-8)20-11-4-2-1-3-9(11)13-15-17-18-16-13/h2*1-7,19H,(H,15,16,17,18)
InChIKeyBRSXAZHUJNPGQT-UHFFFAOYSA-N
XLogP6.04
TPSA167.84 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.39
LogP ≤ 56.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol?
The IUPAC name of 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol (CID 157441605) is 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol.
What is the SMILES notation for 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol?
The canonical SMILES for 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol is Oc1cc(Cl)ccc1Oc1ccccc1-c1nn[nH]n1.Oc1cc(Cl)ccc1Oc1ccccc1-c1nn[nH]n1.
What is the InChIKey of 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol?
The InChIKey is BRSXAZHUJNPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9ClN4O2/c2*14-8-5-6-12(10(19)7-8)20-11-4-2-1-3-9(11)13-15-17-18-16-13/h2*1-7,19H,(H,15,16,17,18).
What are the key properties of 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol?
5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol has a molecular weight of 577.39 g/mol, XLogP of 6.04, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol is sourced from PubChem (CID 157441605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).