methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate

C11H13ClO6 — CID 10612541

IUPACmethyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate
SMILESCOC(=O)c1c(O)c(Cl)c(OC)c(OC)c1OC
InChIInChI=1S/C11H13ClO6/c1-15-8-5(11(14)18-4)7(13)6(12)9(16-2)10(8)17-3/h13H,1-4H3
InChIKeyNFPVHGQAVNHTOP-UHFFFAOYSA-N
MW276.67 g/mol
LogP1.86
Rot. Bonds4

About methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate

methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate (PubChem CID 10612541) has the molecular formula C11H13ClO6 and a molecular weight of 276.67 g/mol. Its IUPAC name is methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate
PubChem CID10612541
Molecular FormulaC11H13ClO6
Molecular Weight276.67 g/mol
Exact Mass276.04
IUPAC Namemethyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate
SMILESCOC(=O)c1c(O)c(Cl)c(OC)c(OC)c1OC
InChIInChI=1S/C11H13ClO6/c1-15-8-5(11(14)18-4)7(13)6(12)9(16-2)10(8)17-3/h13H,1-4H3
InChIKeyNFPVHGQAVNHTOP-UHFFFAOYSA-N
XLogP1.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.67
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate
CID 154361957
dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate
CID 53254578
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
methyl 3-bromo-2,5-dichloro-6-methoxybenzoate
CID 118562173
methyl 2,3,6-trifluoro-4-hydroxy-5-methoxybenzoate
CID 174654457
N-butyl-3,5-dichloro-2,6-dihydroxy-4-methoxybenzamide
CID 46892802
methyl 6-formyl-3-hydroxy-4-iodo-2-methoxybenzoate
CID 11393527
methyl 5-amino-2-hydroxy-3-methoxy-4,6-dimethylbenzoate
CID 84689679
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)octan-1-one
CID 42600341
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate?
The IUPAC name of methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate (CID 10612541) is methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate.
What is the SMILES notation for methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate?
The canonical SMILES for methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate is COC(=O)c1c(O)c(Cl)c(OC)c(OC)c1OC.
What is the InChIKey of methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate?
The InChIKey is NFPVHGQAVNHTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO6/c1-15-8-5(11(14)18-4)7(13)6(12)9(16-2)10(8)17-3/h13H,1-4H3.
What are the key properties of methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate?
methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate has a molecular weight of 276.67 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate is sourced from PubChem (CID 10612541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).