3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol

C14H12N4O2 — CID 166638111

IUPAC3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol
SMILESOCc1ccc(-c2cccc(O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18)
InChIKeyMHFBCDLPGNNTMV-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.73
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol

3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol (PubChem CID 166638111) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol
PubChem CID166638111
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol
SMILESOCc1ccc(-c2cccc(O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18)
InChIKeyMHFBCDLPGNNTMV-UHFFFAOYSA-N
XLogP1.73
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol (CID 166638111) is 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol is OCc1ccc(-c2cccc(O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol?
The InChIKey is MHFBCDLPGNNTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol?
3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol has a molecular weight of 268.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-2-(2H-tetrazol-5-yl)phenol is sourced from PubChem (CID 166638111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).