[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C36H40O6 — CID 164936733

IUPAC[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC3CCC(COC(=O)[C@@H](C)c4ccc5cc(OC)ccc5c4)CC3)ccc2c1
InChIInChI=1S/C36H40O6/c1-23(27-9-11-31-19-33(39-3)15-13-29(31)17-27)35(37)41-21-25-5-7-26(8-6-25)22-42-36(38)24(2)28-10-12-32-20-34(40-4)16-14-30(32)18-28/h9-20,23-26H,5-8,21-22H2,1-4H3/t23-,24-,25?,26?/m0/s1
InChIKeyPDBYSHWSTMLGAJ-ZCCOPBOASA-N
MW568.71 g/mol
LogP7.81
Rot. Bonds10

About [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 164936733) has the molecular formula C36H40O6 and a molecular weight of 568.71 g/mol. Its IUPAC name is [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID164936733
Molecular FormulaC36H40O6
Molecular Weight568.71 g/mol
Exact Mass568.28
IUPAC Name[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@H](C)C(=O)OCC3CCC(COC(=O)[C@@H](C)c4ccc5cc(OC)ccc5c4)CC3)ccc2c1
InChIInChI=1S/C36H40O6/c1-23(27-9-11-31-19-33(39-3)15-13-29(31)17-27)35(37)41-21-25-5-7-26(8-6-25)22-42-36(38)24(2)28-10-12-32-20-34(40-4)16-14-30(32)18-28/h9-20,23-26H,5-8,21-22H2,1-4H3/t23-,24-,25?,26?/m0/s1
InChIKeyPDBYSHWSTMLGAJ-ZCCOPBOASA-N
XLogP7.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.71
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate with MolForge

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Related Compounds

2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952003
[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 98108373
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 164936733) is [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@H](C)C(=O)OCC3CCC(COC(=O)[C@@H](C)c4ccc5cc(OC)ccc5c4)CC3)ccc2c1.
What is the InChIKey of [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is PDBYSHWSTMLGAJ-ZCCOPBOASA-N. The full InChI is InChI=1S/C36H40O6/c1-23(27-9-11-31-19-33(39-3)15-13-29(31)17-27)35(37)41-21-25-5-7-26(8-6-25)22-42-36(38)24(2)28-10-12-32-20-34(40-4)16-14-30(32)18-28/h9-20,23-26H,5-8,21-22H2,1-4H3/t23-,24-,25?,26?/m0/s1.
What are the key properties of [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 568.71 g/mol, XLogP of 7.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 164936733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).