5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol

C27H22N8O2 — CID 161184284

IUPAC5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol
SMILESCOc1ccccc1-c1cccc(-c2nn[nH]n2)c1.Oc1ccccc1-c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H12N4O.C13H10N4O/c1-19-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-15-17-18-16-14;18-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13-14-16-17-15-13/h2-9H,1H3,(H,15,16,17,18);1-8,18H,(H,14,15,16,17)
InChIKeyUSWMIHGGTWPVEB-UHFFFAOYSA-N
MW490.53 g/mol
LogP4.78
Rot. Bonds5

About 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol

5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol (PubChem CID 161184284) has the molecular formula C27H22N8O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol.

Molecular Properties

Compound Name5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol
PubChem CID161184284
Molecular FormulaC27H22N8O2
Molecular Weight490.53 g/mol
Exact Mass490.19
IUPAC Name5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol
SMILESCOc1ccccc1-c1cccc(-c2nn[nH]n2)c1.Oc1ccccc1-c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H12N4O.C13H10N4O/c1-19-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-15-17-18-16-14;18-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13-14-16-17-15-13/h2-9H,1H3,(H,15,16,17,18);1-8,18H,(H,14,15,16,17)
InChIKeyUSWMIHGGTWPVEB-UHFFFAOYSA-N
XLogP4.78
TPSA138.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol?
The IUPAC name of 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol (CID 161184284) is 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol.
What is the SMILES notation for 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol?
The canonical SMILES for 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol is COc1ccccc1-c1cccc(-c2nn[nH]n2)c1.Oc1ccccc1-c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol?
The InChIKey is USWMIHGGTWPVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O.C13H10N4O/c1-19-13-8-3-2-7-12(13)10-5-4-6-11(9-10)14-15-17-18-16-14;18-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13-14-16-17-15-13/h2-9H,1H3,(H,15,16,17,18);1-8,18H,(H,14,15,16,17).
What are the key properties of 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol?
5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol has a molecular weight of 490.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyphenyl)phenyl]-2H-tetrazole;2-[3-(2H-tetrazol-5-yl)phenyl]phenol is sourced from PubChem (CID 161184284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).