[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate

C22H24O8 — CID 67411034

IUPAC[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC2CCCCC2OC(=O)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H24O8/c1-27-19-11-13(7-9-15(19)23)21(25)29-17-5-3-4-6-18(17)30-22(26)14-8-10-16(24)20(12-14)28-2/h7-12,17-18,23-24H,3-6H2,1-2H3
InChIKeyCJJVDYUOTKHCBA-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.44
Rot. Bonds6

About [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate

[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate (PubChem CID 67411034) has the molecular formula C22H24O8 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
PubChem CID67411034
Molecular FormulaC22H24O8
Molecular Weight416.43 g/mol
Exact Mass416.15
IUPAC Name[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC2CCCCC2OC(=O)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H24O8/c1-27-19-11-13(7-9-15(19)23)21(25)29-17-5-3-4-6-18(17)30-22(26)14-8-10-16(24)20(12-14)28-2/h7-12,17-18,23-24H,3-6H2,1-2H3
InChIKeyCJJVDYUOTKHCBA-UHFFFAOYSA-N
XLogP3.44
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate with MolForge

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Related Compounds

[(1R,3R)-3-(4-hydroxy-3-methoxybenzoyl)oxycyclopentyl] 4-hydroxy-3-methoxybenzoate
CID 67003249
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 4-hydroxy-3-methoxybenzoate
CID 122423267
(3R,4S,5R)-3,4,5-tris[(4-hydroxy-3-methoxybenzoyl)oxy]cyclohexene-1-carboxylic acid
CID 172869902
[2-(3-methoxy-4-phenylmethoxybenzoyl)oxycyclohexyl] 3-methoxy-4-phenylmethoxybenzoate
CID 76808693
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4-hydroxy-3-methoxybenzoate
CID 933171
(3,3-dimethylcyclopentyl) 4-hydroxy-3-methoxybenzoate
CID 70901489
(8-formyl-8-azabicyclo[3.2.1]octan-3-yl) 4-hydroxy-3-methoxybenzoate
CID 162923228
[(1R,2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 4-hydroxy-3-methoxybenzoate
CID 16760109
[(1S,2S)-2-methoxycarbonylcyclohexyl] 4-ethoxy-3-methoxybenzoate
CID 97332536
cyclohexane-1,3-diol;bis(4-hydroxy-3-methoxybenzoic acid)
CID 67408860
(4,9-dihydroxy-2,5,5,9-tetramethylcycloundec-2-en-1-yl) 4-hydroxy-3-methoxybenzoate
CID 163040266
3-(4-hydroxy-3-methoxybenzoyl)oxypropyl 4-hydroxy-3-methoxybenzoate
CID 45376005

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate (CID 67411034) is [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate is COc1cc(C(=O)OC2CCCCC2OC(=O)c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate?
The InChIKey is CJJVDYUOTKHCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O8/c1-27-19-11-13(7-9-15(19)23)21(25)29-17-5-3-4-6-18(17)30-22(26)14-8-10-16(24)20(12-14)28-2/h7-12,17-18,23-24H,3-6H2,1-2H3.
What are the key properties of [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate?
[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate has a molecular weight of 416.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 67411034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).