4-[(2-ethyltetrazol-5-yl)methyl]phenol

C10H12N4O — CID 68649637

IUPAC4-[(2-ethyltetrazol-5-yl)methyl]phenol
SMILESCCn1nnc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C10H12N4O/c1-2-14-12-10(11-13-14)7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3
InChIKeyASSAGXXNXTXROP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.99
Rot. Bonds3

About 4-[(2-ethyltetrazol-5-yl)methyl]phenol

4-[(2-ethyltetrazol-5-yl)methyl]phenol (PubChem CID 68649637) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-[(2-ethyltetrazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-ethyltetrazol-5-yl)methyl]phenol
PubChem CID68649637
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-[(2-ethyltetrazol-5-yl)methyl]phenol
SMILESCCn1nnc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C10H12N4O/c1-2-14-12-10(11-13-14)7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3
InChIKeyASSAGXXNXTXROP-UHFFFAOYSA-N
XLogP0.99
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyltetrazol-5-yl)methyl]phenol?
The IUPAC name of 4-[(2-ethyltetrazol-5-yl)methyl]phenol (CID 68649637) is 4-[(2-ethyltetrazol-5-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-ethyltetrazol-5-yl)methyl]phenol?
The canonical SMILES for 4-[(2-ethyltetrazol-5-yl)methyl]phenol is CCn1nnc(Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(2-ethyltetrazol-5-yl)methyl]phenol?
The InChIKey is ASSAGXXNXTXROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-14-12-10(11-13-14)7-8-3-5-9(15)6-4-8/h3-6,15H,2,7H2,1H3.
What are the key properties of 4-[(2-ethyltetrazol-5-yl)methyl]phenol?
4-[(2-ethyltetrazol-5-yl)methyl]phenol has a molecular weight of 204.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyltetrazol-5-yl)methyl]phenol is sourced from PubChem (CID 68649637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).