methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate

C16H14O6 — CID 132546246

IUPACmethyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cc(O)ccc1-c1ccc(O)cc1C(=O)OC
InChIInChI=1S/C16H14O6/c1-21-15(19)13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(20)22-2/h3-8,17-18H,1-2H3
InChIKeyAUYLADFORZKBMP-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.34
Rot. Bonds3

About methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate

methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate (PubChem CID 132546246) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
PubChem CID132546246
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Namemethyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
SMILESCOC(=O)c1cc(O)ccc1-c1ccc(O)cc1C(=O)OC
InChIInChI=1S/C16H14O6/c1-21-15(19)13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(20)22-2/h3-8,17-18H,1-2H3
InChIKeyAUYLADFORZKBMP-UHFFFAOYSA-N
XLogP2.34
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 2-(bromomethyl)-5-hydroxybenzoate
CID 70312474
methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368
methyl 4-hydroxy-2-prop-2-enylbenzoate
CID 175570133
methyl 5-hydroxy-2-nitrobenzoate
CID 12922678
methyl 5-hydroxy-2-[(3-methoxy-3-oxopropanoyl)amino]benzoate
CID 175373214
methyl 3-acetylazulene-1-carboxylate
CID 11241652
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441
dimethyl 4-hydroxyazulene-1,3-dicarboxylate
CID 10682741
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
methyl 4-(3-hydroxyphenyl)naphthalene-1-carboxylate
CID 169271541
propyl 4-hydroxy-2-(2-methoxycarbonylphenyl)benzoate
CID 141181595

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate?
The IUPAC name of methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate (CID 132546246) is methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate.
What is the SMILES notation for methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate?
The canonical SMILES for methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate is COC(=O)c1cc(O)ccc1-c1ccc(O)cc1C(=O)OC.
What is the InChIKey of methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate?
The InChIKey is AUYLADFORZKBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-15(19)13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(20)22-2/h3-8,17-18H,1-2H3.
What are the key properties of methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate?
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate has a molecular weight of 302.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate is sourced from PubChem (CID 132546246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).