2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol

C16H16N4O — CID 706750

IUPAC2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol
SMILESCc1cc(Cn2nnc(-c3ccccc3)n2)cc(C)c1O
InChIInChI=1S/C16H16N4O/c1-11-8-13(9-12(2)15(11)21)10-20-18-16(17-19-20)14-6-4-3-5-7-14/h3-9,21H,10H2,1-2H3
InChIKeyFJAYQYVRIDIFCB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds3

About 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol

2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol (PubChem CID 706750) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol
PubChem CID706750
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol
SMILESCc1cc(Cn2nnc(-c3ccccc3)n2)cc(C)c1O
InChIInChI=1S/C16H16N4O/c1-11-8-13(9-12(2)15(11)21)10-20-18-16(17-19-20)14-6-4-3-5-7-14/h3-9,21H,10H2,1-2H3
InChIKeyFJAYQYVRIDIFCB-UHFFFAOYSA-N
XLogP2.71
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol (CID 706750) is 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol is Cc1cc(Cn2nnc(-c3ccccc3)n2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol?
The InChIKey is FJAYQYVRIDIFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-8-13(9-12(2)15(11)21)10-20-18-16(17-19-20)14-6-4-3-5-7-14/h3-9,21H,10H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol?
2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(5-phenyltetrazol-2-yl)methyl]phenol is sourced from PubChem (CID 706750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).