methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate

C19H26O5 — CID 67669498

IUPACmethyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CC(O)C(O)CC1C(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H26O5/c1-10-5-11(2)13(12(3)6-10)7-16(20)14-8-17(21)18(22)9-15(14)19(23)24-4/h5-6,14-15,17-18,21-22H,7-9H2,1-4H3
InChIKeyXNXGUQINJUPOLJ-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.64
Rot. Bonds4

About methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate

methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate (PubChem CID 67669498) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate
PubChem CID67669498
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Namemethyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CC(O)C(O)CC1C(=O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H26O5/c1-10-5-11(2)13(12(3)6-10)7-16(20)14-8-17(21)18(22)9-15(14)19(23)24-4/h5-6,14-15,17-18,21-22H,7-9H2,1-4H3
InChIKeyXNXGUQINJUPOLJ-UHFFFAOYSA-N
XLogP1.64
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966066
1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70255424
dimethyl 2-[(2,4,6-trimethylphenyl)methyl]propanedioate
CID 94276263
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
carbonic acid;1-(2-methylcyclopentyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70256242
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
methyl 1-[2-(2,4,6-trimethylphenyl)acetyl]cyclopentane-1-carboxylate
CID 67668185
methyl 4-[2-(2,4,6-trimethylphenyl)acetyl]morpholine-2-carboxylate
CID 122159279
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767417
ethyl 3-methyl-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate
CID 54042008
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate (CID 67669498) is methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate is COC(=O)C1CC(O)C(O)CC1C(=O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate?
The InChIKey is XNXGUQINJUPOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c1-10-5-11(2)13(12(3)6-10)7-16(20)14-8-17(21)18(22)9-15(14)19(23)24-4/h5-6,14-15,17-18,21-22H,7-9H2,1-4H3.
What are the key properties of methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate?
methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate has a molecular weight of 334.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dihydroxy-2-[2-(2,4,6-trimethylphenyl)acetyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 67669498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).