methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate

C19H20O7 — CID 139683762

IUPACmethyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate
SMILESCCCOc1cc(O)cc(C(=O)OC)c1C(=O)c1c(O)cc(C)cc1O
InChIInChI=1S/C19H20O7/c1-4-5-26-15-9-11(20)8-12(19(24)25-3)16(15)18(23)17-13(21)6-10(2)7-14(17)22/h6-9,20-22H,4-5H2,1-3H3
InChIKeyOMJFUDXWZLEKKT-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.92
Rot. Bonds6

About methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate

methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate (PubChem CID 139683762) has the molecular formula C19H20O7 and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate
PubChem CID139683762
Molecular FormulaC19H20O7
Molecular Weight360.36 g/mol
Exact Mass360.12
IUPAC Namemethyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate
SMILESCCCOc1cc(O)cc(C(=O)OC)c1C(=O)c1c(O)cc(C)cc1O
InChIInChI=1S/C19H20O7/c1-4-5-26-15-9-11(20)8-12(19(24)25-3)16(15)18(23)17-13(21)6-10(2)7-14(17)22/h6-9,20-22H,4-5H2,1-3H3
InChIKeyOMJFUDXWZLEKKT-UHFFFAOYSA-N
XLogP2.92
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate?
The IUPAC name of methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate (CID 139683762) is methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate.
What is the SMILES notation for methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate?
The canonical SMILES for methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate is CCCOc1cc(O)cc(C(=O)OC)c1C(=O)c1c(O)cc(C)cc1O.
What is the InChIKey of methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate?
The InChIKey is OMJFUDXWZLEKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O7/c1-4-5-26-15-9-11(20)8-12(19(24)25-3)16(15)18(23)17-13(21)6-10(2)7-14(17)22/h6-9,20-22H,4-5H2,1-3H3.
What are the key properties of methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate?
methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate has a molecular weight of 360.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-propoxybenzoate is sourced from PubChem (CID 139683762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).