methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate

C18H18O7 — CID 23872041

IUPACmethyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate
SMILESCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1OC
InChIInChI=1S/C18H18O7/c1-9-5-12(20)16(13(6-9)23-2)17(21)15-11(18(22)25-4)7-10(19)8-14(15)24-3/h5-8,19-20H,1-4H3
InChIKeyXJOBKBUGVMLSEJ-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.44
Rot. Bonds5

About methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate

methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate (PubChem CID 23872041) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate
PubChem CID23872041
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Namemethyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate
SMILESCOC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1OC
InChIInChI=1S/C18H18O7/c1-9-5-12(20)16(13(6-9)23-2)17(21)15-11(18(22)25-4)7-10(19)8-14(15)24-3/h5-8,19-20H,1-4H3
InChIKeyXJOBKBUGVMLSEJ-UHFFFAOYSA-N
XLogP2.44
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Genistein
CID 5280961
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Emodin
CID 3220
Zeranol
CID 2999413
Daidzein
CID 5281708
Mycophenolic Acid
CID 446541
Zearalenone
CID 5281576
Biochanin A
CID 5280373
Formononetin
CID 5280378
Atraric Acid
CID 78435
Urolithin A
CID 5488186

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate?
The IUPAC name of methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate (CID 23872041) is methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate.
What is the SMILES notation for methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate?
The canonical SMILES for methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate is COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1OC.
What is the InChIKey of methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate?
The InChIKey is XJOBKBUGVMLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c1-9-5-12(20)16(13(6-9)23-2)17(21)15-11(18(22)25-4)7-10(19)8-14(15)24-3/h5-8,19-20H,1-4H3.
What are the key properties of methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate?
methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate has a molecular weight of 346.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2-(2-hydroxy-6-methoxy-4-methylbenzoyl)-3-methoxybenzoate is sourced from PubChem (CID 23872041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).