ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate

C11H14O5 — CID 10987943

IUPACethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate
SMILESCCOC(=O)c1c(O)cc(O)c(OC)c1C
InChIInChI=1S/C11H14O5/c1-4-16-11(14)9-6(2)10(15-3)8(13)5-7(9)12/h5,12-13H,4H2,1-3H3
InChIKeyUMBVKKVZFZYNPG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.59
Rot. Bonds3

About ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate

ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate (PubChem CID 10987943) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate
PubChem CID10987943
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate
SMILESCCOC(=O)c1c(O)cc(O)c(OC)c1C
InChIInChI=1S/C11H14O5/c1-4-16-11(14)9-6(2)10(15-3)8(13)5-7(9)12/h5,12-13H,4H2,1-3H3
InChIKeyUMBVKKVZFZYNPG-UHFFFAOYSA-N
XLogP1.59
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
ethyl 5-bromo-2,3-dihydroxy-6-methoxybenzoate
CID 25016408
(4-ethoxycarbonyl-3-hydroxy-5-methylphenyl) 4-hydroxy-2-methoxy-3,6-dimethylbenzoate
CID 10571428
ethyl 4-acetyl-2,3,6-trimethoxy-5-methylbenzoate
CID 87118244
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 618553
ethyl 4-(1-ethoxyethenyl)-3,6-dihydroxy-2-methylbenzoate
CID 134333241
ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
CID 11425494
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
ethyl 4-bromo-1,3-dimethoxynaphthalene-2-carboxylate
CID 97034479
ethyl 3-[bis(4-chlorophenyl)methyl]-6-hydroxy-2,4-dimethylbenzoate
CID 25256946
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate?
The IUPAC name of ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate (CID 10987943) is ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate.
What is the SMILES notation for ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate?
The canonical SMILES for ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate is CCOC(=O)c1c(O)cc(O)c(OC)c1C.
What is the InChIKey of ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate?
The InChIKey is UMBVKKVZFZYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-4-16-11(14)9-6(2)10(15-3)8(13)5-7(9)12/h5,12-13H,4H2,1-3H3.
What are the key properties of ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate?
ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate has a molecular weight of 226.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate is sourced from PubChem (CID 10987943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).