methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate

C16H16O6 — CID 10040701

IUPACmethyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
SMILESCOC(=O)c1cc(O)c(Oc2ccccc2OC)c(OC)c1
InChIInChI=1S/C16H16O6/c1-19-12-6-4-5-7-13(12)22-15-11(17)8-10(16(18)21-3)9-14(15)20-2/h4-9,17H,1-3H3
InChIKeyPTAQEGFYCWQNRS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.99
Rot. Bonds5

About methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate

methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate (PubChem CID 10040701) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
PubChem CID10040701
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
SMILESCOC(=O)c1cc(O)c(Oc2ccccc2OC)c(OC)c1
InChIInChI=1S/C16H16O6/c1-19-12-6-4-5-7-13(12)22-15-11(17)8-10(16(18)21-3)9-14(15)20-2/h4-9,17H,1-3H3
InChIKeyPTAQEGFYCWQNRS-UHFFFAOYSA-N
XLogP2.99
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
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methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
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methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
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methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
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methyl 4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoate
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methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
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methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate?
The IUPAC name of methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate (CID 10040701) is methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate.
What is the SMILES notation for methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate?
The canonical SMILES for methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate is COC(=O)c1cc(O)c(Oc2ccccc2OC)c(OC)c1.
What is the InChIKey of methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate?
The InChIKey is PTAQEGFYCWQNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O6/c1-19-12-6-4-5-7-13(12)22-15-11(17)8-10(16(18)21-3)9-14(15)20-2/h4-9,17H,1-3H3.
What are the key properties of methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate?
methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate has a molecular weight of 304.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate is sourced from PubChem (CID 10040701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).