4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol

C17H16N2O3 — CID 854652

IUPAC4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2Oc2ccccc2)c(O)cc1O
InChIInChI=1S/C17H16N2O3/c1-2-11-8-13(15(21)9-14(11)20)17-16(10-18-19-17)22-12-6-4-3-5-7-12/h3-10,20-21H,2H2,1H3,(H,18,19)
InChIKeyCNJFYVMPHWHMIT-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.84
Rot. Bonds4

About 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol

4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol (PubChem CID 854652) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol
PubChem CID854652
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2Oc2ccccc2)c(O)cc1O
InChIInChI=1S/C17H16N2O3/c1-2-11-8-13(15(21)9-14(11)20)17-16(10-18-19-17)22-12-6-4-3-5-7-12/h3-10,20-21H,2H2,1H3,(H,18,19)
InChIKeyCNJFYVMPHWHMIT-UHFFFAOYSA-N
XLogP3.84
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol (CID 854652) is 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol is CCc1cc(-c2[nH]ncc2Oc2ccccc2)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol?
The InChIKey is CNJFYVMPHWHMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-11-8-13(15(21)9-14(11)20)17-16(10-18-19-17)22-12-6-4-3-5-7-12/h3-10,20-21H,2H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol?
4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol has a molecular weight of 296.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-phenoxy-1H-pyrazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 854652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).