4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid

C18H18O10 — CID 141430670

IUPAC4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)Oc2c(C(=O)O)cc(OC)c(O)c2OC)cc(OC)c1O
InChIInChI=1S/C18H18O10/c1-24-10-5-8(6-11(25-2)13(10)19)18(23)28-15-9(17(21)22)7-12(26-3)14(20)16(15)27-4/h5-7,19-20H,1-4H3,(H,21,22)
InChIKeyRDJOYBDRYIJIAN-UHFFFAOYSA-N
MW394.33 g/mol
LogP2.05
Rot. Bonds7

About 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid

4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid (PubChem CID 141430670) has the molecular formula C18H18O10 and a molecular weight of 394.33 g/mol. Its IUPAC name is 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid
PubChem CID141430670
Molecular FormulaC18H18O10
Molecular Weight394.33 g/mol
Exact Mass394.09
IUPAC Name4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)Oc2c(C(=O)O)cc(OC)c(O)c2OC)cc(OC)c1O
InChIInChI=1S/C18H18O10/c1-24-10-5-8(6-11(25-2)13(10)19)18(23)28-15-9(17(21)22)7-12(26-3)14(20)16(15)27-4/h5-7,19-20H,1-4H3,(H,21,22)
InChIKeyRDJOYBDRYIJIAN-UHFFFAOYSA-N
XLogP2.05
TPSA140.98 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
4-hydroxy-5-methoxy-2,3-dimethylbenzoic acid
CID 117285992
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
(2-amino-4,5-dimethoxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 22097609
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
(2,4,6-trimethylphenyl) 3,4,5-trimethoxybenzoate
CID 8915383
2-[3-(dimethylamino)propyl]-4-hydroxy-3,5-dimethoxybenzoic acid
CID 170549339
3-methoxy-5-(methylsulfanylmethyl)-4-(3,4,5-trimethoxybenzoyl)oxybenzoic acid
CID 91678161
4,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)-3-(3,4,5-trihydroxybenzoyl)oxybenzoic acid
CID 87435647
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid (CID 141430670) is 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid is COc1cc(C(=O)Oc2c(C(=O)O)cc(OC)c(O)c2OC)cc(OC)c1O.
What is the InChIKey of 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid?
The InChIKey is RDJOYBDRYIJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O10/c1-24-10-5-8(6-11(25-2)13(10)19)18(23)28-15-9(17(21)22)7-12(26-3)14(20)16(15)27-4/h5-7,19-20H,1-4H3,(H,21,22).
What are the key properties of 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid?
4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid has a molecular weight of 394.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-hydroxy-3,5-dimethoxybenzoyl)oxy-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 141430670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).