methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate

C18H18O8 — CID 10618636

IUPACmethyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)c(-c2cc(C(=O)OC)cc(OC)c2O)c1
InChIInChI=1S/C18H18O8/c1-23-13-7-9(17(21)25-3)5-11(15(13)19)12-6-10(18(22)26-4)8-14(24-2)16(12)20/h5-8,19-20H,1-4H3
InChIKeyDBUKZZKLTUXIQM-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.36
Rot. Bonds5

About methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate

methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate (PubChem CID 10618636) has the molecular formula C18H18O8 and a molecular weight of 362.33 g/mol. Its IUPAC name is methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate
PubChem CID10618636
Molecular FormulaC18H18O8
Molecular Weight362.33 g/mol
Exact Mass362.10
IUPAC Namemethyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)c(-c2cc(C(=O)OC)cc(OC)c2O)c1
InChIInChI=1S/C18H18O8/c1-23-13-7-9(17(21)25-3)5-11(15(13)19)12-6-10(18(22)26-4)8-14(24-2)16(12)20/h5-8,19-20H,1-4H3
InChIKeyDBUKZZKLTUXIQM-UHFFFAOYSA-N
XLogP2.36
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate?
The IUPAC name of methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate (CID 10618636) is methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate.
What is the SMILES notation for methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate?
The canonical SMILES for methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate is COC(=O)c1cc(OC)c(O)c(-c2cc(C(=O)OC)cc(OC)c2O)c1.
What is the InChIKey of methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate?
The InChIKey is DBUKZZKLTUXIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O8/c1-23-13-7-9(17(21)25-3)5-11(15(13)19)12-6-10(18(22)26-4)8-14(24-2)16(12)20/h5-8,19-20H,1-4H3.
What are the key properties of methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate?
methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate has a molecular weight of 362.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-(2-hydroxy-3-methoxy-5-methoxycarbonylphenyl)-5-methoxybenzoate is sourced from PubChem (CID 10618636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).