methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate

C16H14O7 — CID 10425993

IUPACmethyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate
SMILESCOC(=O)c1ccc(O)c(Oc2cc(C(=O)OC)ccc2O)c1
InChIInChI=1S/C16H14O7/c1-21-15(19)9-3-5-11(17)13(7-9)23-14-8-10(16(20)22-2)4-6-12(14)18/h3-8,17-18H,1-2H3
InChIKeyOEYSNLOOZVNLRA-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.46
Rot. Bonds4

About methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate

methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate (PubChem CID 10425993) has the molecular formula C16H14O7 and a molecular weight of 318.28 g/mol. Its IUPAC name is methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate
PubChem CID10425993
Molecular FormulaC16H14O7
Molecular Weight318.28 g/mol
Exact Mass318.07
IUPAC Namemethyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate
SMILESCOC(=O)c1ccc(O)c(Oc2cc(C(=O)OC)ccc2O)c1
InChIInChI=1S/C16H14O7/c1-21-15(19)9-3-5-11(17)13(7-9)23-14-8-10(16(20)22-2)4-6-12(14)18/h3-8,17-18H,1-2H3
InChIKeyOEYSNLOOZVNLRA-UHFFFAOYSA-N
XLogP2.46
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Vanillin
CID 1183
Propyl Gallate
CID 4947
Diosmetin
CID 5281612
Vanillylmandelic Acid
CID 1245
Vanillic Acid
CID 8468
Ethylvanillin
CID 8467
Octyl Gallate
CID 61253
Acetovanillone
CID 2214
Syringic Acid
CID 10742
Dodecyl Gallate
CID 14425
Homovanillic Acid
CID 1738
Veratric Acid
CID 7121

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate?
The IUPAC name of methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate (CID 10425993) is methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate.
What is the SMILES notation for methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate?
The canonical SMILES for methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate is COC(=O)c1ccc(O)c(Oc2cc(C(=O)OC)ccc2O)c1.
What is the InChIKey of methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate?
The InChIKey is OEYSNLOOZVNLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O7/c1-21-15(19)9-3-5-11(17)13(7-9)23-14-8-10(16(20)22-2)4-6-12(14)18/h3-8,17-18H,1-2H3.
What are the key properties of methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate?
methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate has a molecular weight of 318.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-(2-hydroxy-5-methoxycarbonylphenoxy)benzoate is sourced from PubChem (CID 10425993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).