2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol

C13H14Cl2N2O3 — CID 14622794

IUPAC2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol
SMILESCCOCn1nccc1C(O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-2-20-7-17-9(5-6-16-17)13(19)8-3-4-10(18)12(15)11(8)14/h3-6,13,18-19H,2,7H2,1H3
InChIKeyKQWDBCQTOLWIDH-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.97
Rot. Bonds5

About 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol

2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol (PubChem CID 14622794) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol.

Molecular Properties

Compound Name2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol
PubChem CID14622794
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol
SMILESCCOCn1nccc1C(O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-2-20-7-17-9(5-6-16-17)13(19)8-3-4-10(18)12(15)11(8)14/h3-6,13,18-19H,2,7H2,1H3
InChIKeyKQWDBCQTOLWIDH-UHFFFAOYSA-N
XLogP2.97
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol?
The IUPAC name of 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol (CID 14622794) is 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol.
What is the SMILES notation for 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol?
The canonical SMILES for 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol is CCOCn1nccc1C(O)c1ccc(O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol?
The InChIKey is KQWDBCQTOLWIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-2-20-7-17-9(5-6-16-17)13(19)8-3-4-10(18)12(15)11(8)14/h3-6,13,18-19H,2,7H2,1H3.
What are the key properties of 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol?
2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol has a molecular weight of 317.17 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenol is sourced from PubChem (CID 14622794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).