(2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone

C13H12Cl2N2O3 — CID 14622774

IUPAC(2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone
SMILESCCOCn1nccc1C(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O3/c1-2-20-7-17-9(5-6-16-17)13(19)8-3-4-10(18)12(15)11(8)14/h3-6,18H,2,7H2,1H3
InChIKeyLJVRMCLEIXLBIM-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.12
Rot. Bonds5

About (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone

(2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone (PubChem CID 14622774) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone
PubChem CID14622774
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name(2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone
SMILESCCOCn1nccc1C(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O3/c1-2-20-7-17-9(5-6-16-17)13(19)8-3-4-10(18)12(15)11(8)14/h3-6,18H,2,7H2,1H3
InChIKeyLJVRMCLEIXLBIM-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2,3-Dichloro-4-(1-ethoxymethyl-5-pyrazolylcarbonyl)phenoxy]acetic acid
CID 9864296
Ethyl [2,3-dichloro-4-(1-ethoxymethyl-5-pyrazolylcarbonyl)phenoxy]acetate
CID 14622775
[2,3-Dichloro-4-(4-chloro-1-ethyl-5-pyrazolylcarbonyl)phenoxy]acetic acid
CID 14622781
(2,3-Dichloro-4-methoxyphenyl)(1-ethoxymethyl-5-pyrazolyl)methanone
CID 14622785
(2,3-Dichloro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 14622790
(2,3-Dichloro-4-methoxyphenyl)(1-benzyl-5-pyrazolyl)methanone
CID 14622791
(2,3-Dichloro-4-allyloxyphenyl)(1-methyl-5-pyrazolyl)methanone
CID 14622792
alpha-(1-Ethoxymethyl-5-pyrazolyl)-2,3-dichloro-4-hydroxybenzylalcohol
CID 14622794
6-Allyl-2,3-dichloro-4-(1-methyl-5-pyrazolylcarbonyl)phenol
CID 14719819
[2,3-Dichloro-4-(1-ethyl-1H-pyrazole-5-carbonyl)phenoxy]acetic acid
CID 14721234
(1-Methylpyrazol-5-yl)-(2,3-dichloro-4,5-dimethoxyphenyl)-methanone
CID 14748594
2,3-Dichloro-4-(1-methyl-5-pyrazolylcarbonyl)phenol
CID 15631674

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
The IUPAC name of (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone (CID 14622774) is (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
The canonical SMILES for (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone is CCOCn1nccc1C(=O)c1ccc(O)c(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
The InChIKey is LJVRMCLEIXLBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-2-20-7-17-9(5-6-16-17)13(19)8-3-4-10(18)12(15)11(8)14/h3-6,18H,2,7H2,1H3.
What are the key properties of (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone?
(2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone has a molecular weight of 315.16 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-hydroxyphenyl)-[2-(ethoxymethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 14622774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).