ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

C11H12Cl2O4 — CID 15720288

IUPACethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
SMILESCCOC(=O)c1c(O)c(Cl)c(O)c(Cl)c1CC
InChIInChI=1S/C11H12Cl2O4/c1-3-5-6(11(16)17-4-2)9(14)8(13)10(15)7(5)12/h14-15H,3-4H2,1-2H3
InChIKeyWPMPMHXPDZOTEY-UHFFFAOYSA-N
MW279.12 g/mol
LogP3.14
Rot. Bonds3

About ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate

ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate (PubChem CID 15720288) has the molecular formula C11H12Cl2O4 and a molecular weight of 279.12 g/mol. Its IUPAC name is ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate.

Molecular Properties

Compound Nameethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
PubChem CID15720288
Molecular FormulaC11H12Cl2O4
Molecular Weight279.12 g/mol
Exact Mass278.01
IUPAC Nameethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
SMILESCCOC(=O)c1c(O)c(Cl)c(O)c(Cl)c1CC
InChIInChI=1S/C11H12Cl2O4/c1-3-5-6(11(16)17-4-2)9(14)8(13)10(15)7(5)12/h14-15H,3-4H2,1-2H3
InChIKeyWPMPMHXPDZOTEY-UHFFFAOYSA-N
XLogP3.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2,5-diethyl-3,6-dihydroxybenzene-1,4-dicarboxylate
CID 176550892
2,5-dichloro-3-ethoxycarbonyl-4-ethyl-6-methoxybenzoic acid
CID 154490646
2,5-dichloro-4,6-bis(ethoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 139767095
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
diethyl 2,5-dichlorothiophene-3,4-dicarboxylate
CID 102280314
ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
3,5-dichloro-2,4-dihydroxy-6-pentylbenzoic acid
CID 606098
[(2R,3S,4S,5S)-4,6-dihydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
CID 170455877
[(2R,3S,4S,5R,6R)-2,5-dihydroxy-3-methoxy-6-methyloxan-4-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
CID 58925620
ethyl 2,6-dibromo-4-chlorobenzoate
CID 171033804

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate?
The IUPAC name of ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate (CID 15720288) is ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate.
What is the SMILES notation for ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate?
The canonical SMILES for ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate is CCOC(=O)c1c(O)c(Cl)c(O)c(Cl)c1CC.
What is the InChIKey of ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate?
The InChIKey is WPMPMHXPDZOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O4/c1-3-5-6(11(16)17-4-2)9(14)8(13)10(15)7(5)12/h14-15H,3-4H2,1-2H3.
What are the key properties of ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate?
ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate has a molecular weight of 279.12 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate is sourced from PubChem (CID 15720288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).