copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate

C18H20CuO6+2 — CID 159081136

IUPACcopper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.COC(=O)c1ccc(O)cc1.[Cu+2]
InChIInChI=1S/C10H12O3.C8H8O3.Cu/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-11-8(10)6-2-4-7(9)5-3-6;/h3-6,11H,2,7H2,1H3;2-5,9H,1H3;/q;;+2
InChIKeyKAWFSWNDQFAIHH-UHFFFAOYSA-N
MW395.90 g/mol
LogP3.14
Rot. Bonds4

About copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate

copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate (PubChem CID 159081136) has the molecular formula C18H20CuO6+2 and a molecular weight of 395.90 g/mol. Its IUPAC name is copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate.

Molecular Properties

Compound Namecopper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
PubChem CID159081136
Molecular FormulaC18H20CuO6+2
Molecular Weight395.90 g/mol
Exact Mass395.05
IUPAC Namecopper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.COC(=O)c1ccc(O)cc1.[Cu+2]
InChIInChI=1S/C10H12O3.C8H8O3.Cu/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-11-8(10)6-2-4-7(9)5-3-6;/h3-6,11H,2,7H2,1H3;2-5,9H,1H3;/q;;+2
InChIKeyKAWFSWNDQFAIHH-UHFFFAOYSA-N
XLogP3.14
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-hydroxybenzoate
CID 66683808
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate
CID 177159646
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
1-O-methyl 4-O-propyl benzene-1,4-dicarboxylate;oxolane
CID 123958342
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497

Frequently Asked Questions

What is the IUPAC name of copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate?
The IUPAC name of copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate (CID 159081136) is copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate.
What is the SMILES notation for copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate?
The canonical SMILES for copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate is CCCOC(=O)c1ccc(O)cc1.COC(=O)c1ccc(O)cc1.[Cu+2].
What is the InChIKey of copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate?
The InChIKey is KAWFSWNDQFAIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C8H8O3.Cu/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-11-8(10)6-2-4-7(9)5-3-6;/h3-6,11H,2,7H2,1H3;2-5,9H,1H3;/q;;+2.
What are the key properties of copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate?
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate has a molecular weight of 395.90 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate is sourced from PubChem (CID 159081136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).