methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate

C10H10Cl2O5 — CID 154361957

IUPACmethyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate
SMILESCOC(=O)c1c(O)c(Cl)c(OC)c(Cl)c1OC
InChIInChI=1S/C10H10Cl2O5/c1-15-8-4(10(14)17-3)7(13)5(11)9(16-2)6(8)12/h13H,1-3H3
InChIKeyXBPNYZPGDXTNIA-UHFFFAOYSA-N
MW281.09 g/mol
LogP2.50
Rot. Bonds3

About methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate

methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate (PubChem CID 154361957) has the molecular formula C10H10Cl2O5 and a molecular weight of 281.09 g/mol. Its IUPAC name is methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate
PubChem CID154361957
Molecular FormulaC10H10Cl2O5
Molecular Weight281.09 g/mol
Exact Mass279.99
IUPAC Namemethyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate
SMILESCOC(=O)c1c(O)c(Cl)c(OC)c(Cl)c1OC
InChIInChI=1S/C10H10Cl2O5/c1-15-8-4(10(14)17-3)7(13)5(11)9(16-2)6(8)12/h13H,1-3H3
InChIKeyXBPNYZPGDXTNIA-UHFFFAOYSA-N
XLogP2.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate
CID 10612541
methyl 2,5-dichloro-3,6-dihydroxy-4-methylbenzoate
CID 140966674
trimethyl 4-chloro-5,6-dihydroxybenzene-1,2,3-tricarboxylate
CID 53254317
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide
CID 46892802
methyl 3-bromo-2,5-dichloro-6-methoxybenzoate
CID 118562173
dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate
CID 53254578
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)octan-1-one
CID 42600341
methyl 2,3,6-trifluoro-4-hydroxy-5-methoxybenzoate
CID 174654457
methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
CID 84689679
methyl 6-formyl-3-hydroxy-4-iodo-2-methoxybenzoate
CID 11393527
3,5-dichloro-2,6-dimethoxy-4-methylbenzoic acid
CID 13202156

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate?
The IUPAC name of methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate (CID 154361957) is methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate.
What is the SMILES notation for methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate?
The canonical SMILES for methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate is COC(=O)c1c(O)c(Cl)c(OC)c(Cl)c1OC.
What is the InChIKey of methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate?
The InChIKey is XBPNYZPGDXTNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O5/c1-15-8-4(10(14)17-3)7(13)5(11)9(16-2)6(8)12/h13H,1-3H3.
What are the key properties of methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate?
methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate has a molecular weight of 281.09 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate is sourced from PubChem (CID 154361957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).