5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol

C22H20N4O6 — CID 23539224

IUPAC5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2nn[nH]n2)c(O)c1
InChIInChI=1S/C22H20N4O6/c1-30-18-10-15(12-3-6-14(27)7-4-12)22(31-2)21(29)20(18)13-5-8-17(16(28)9-13)32-11-19-23-25-26-24-19/h3-10,27-29H,11H2,1-2H3,(H,23,24,25,26)
InChIKeySFQFPIVCIKVXCH-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.25
Rot. Bonds7

About 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol

5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol (PubChem CID 23539224) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol
PubChem CID23539224
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol
SMILESCOc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2nn[nH]n2)c(O)c1
InChIInChI=1S/C22H20N4O6/c1-30-18-10-15(12-3-6-14(27)7-4-12)22(31-2)21(29)20(18)13-5-8-17(16(28)9-13)32-11-19-23-25-26-24-19/h3-10,27-29H,11H2,1-2H3,(H,23,24,25,26)
InChIKeySFQFPIVCIKVXCH-UHFFFAOYSA-N
XLogP3.25
TPSA142.84 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
The IUPAC name of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol (CID 23539224) is 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
The canonical SMILES for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol is COc1cc(-c2ccc(O)cc2)c(OC)c(O)c1-c1ccc(OCc2nn[nH]n2)c(O)c1.
What is the InChIKey of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
The InChIKey is SFQFPIVCIKVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-30-18-10-15(12-3-6-14(27)7-4-12)22(31-2)21(29)20(18)13-5-8-17(16(28)9-13)32-11-19-23-25-26-24-19/h3-10,27-29H,11H2,1-2H3,(H,23,24,25,26).
What are the key properties of 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol?
5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol has a molecular weight of 436.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(2H-tetrazol-5-ylmethoxy)phenyl]-3,6-dimethoxyphenol is sourced from PubChem (CID 23539224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).