4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol

C15H14N4O — CID 122501235

IUPAC4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol
SMILESCCc1ccc(-c2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N4O/c1-2-11-3-5-12(6-4-11)15-16-17-18-19(15)13-7-9-14(20)10-8-13/h3-10,20H,2H2,1H3
InChIKeySKLKDRIJDIPANJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.60
Rot. Bonds3

About 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol

4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol (PubChem CID 122501235) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol
PubChem CID122501235
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol
SMILESCCc1ccc(-c2nnnn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N4O/c1-2-11-3-5-12(6-4-11)15-16-17-18-19(15)13-7-9-14(20)10-8-13/h3-10,20H,2H2,1H3
InChIKeySKLKDRIJDIPANJ-UHFFFAOYSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol (CID 122501235) is 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol is CCc1ccc(-c2nnnn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol?
The InChIKey is SKLKDRIJDIPANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-11-3-5-12(6-4-11)15-16-17-18-19(15)13-7-9-14(20)10-8-13/h3-10,20H,2H2,1H3.
What are the key properties of 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol?
4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol has a molecular weight of 266.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)tetrazol-1-yl]phenol is sourced from PubChem (CID 122501235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).