5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol

C16H16N4O3 — CID 46930417

IUPAC5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol
SMILESCCCc1cc(O)c(Oc2ccc(-c3nn[nH]n3)cc2)c(O)c1
InChIInChI=1S/C16H16N4O3/c1-2-3-10-8-13(21)15(14(22)9-10)23-12-6-4-11(5-7-12)16-17-19-20-18-16/h4-9,21-22H,2-3H2,1H3,(H,17,18,19,20)
InChIKeyLVDHRTLUSCCHHY-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.02
Rot. Bonds5

About 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol

5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol (PubChem CID 46930417) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol.

Molecular Properties

Compound Name5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol
PubChem CID46930417
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol
SMILESCCCc1cc(O)c(Oc2ccc(-c3nn[nH]n3)cc2)c(O)c1
InChIInChI=1S/C16H16N4O3/c1-2-3-10-8-13(21)15(14(22)9-10)23-12-6-4-11(5-7-12)16-17-19-20-18-16/h4-9,21-22H,2-3H2,1H3,(H,17,18,19,20)
InChIKeyLVDHRTLUSCCHHY-UHFFFAOYSA-N
XLogP3.02
TPSA104.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol?
The IUPAC name of 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol (CID 46930417) is 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol.
What is the SMILES notation for 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol?
The canonical SMILES for 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol is CCCc1cc(O)c(Oc2ccc(-c3nn[nH]n3)cc2)c(O)c1.
What is the InChIKey of 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol?
The InChIKey is LVDHRTLUSCCHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-2-3-10-8-13(21)15(14(22)9-10)23-12-6-4-11(5-7-12)16-17-19-20-18-16/h4-9,21-22H,2-3H2,1H3,(H,17,18,19,20).
What are the key properties of 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol?
5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol has a molecular weight of 312.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[4-(2H-tetrazol-5-yl)phenoxy]benzene-1,3-diol is sourced from PubChem (CID 46930417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).