methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate

C13H18O4 — CID 66958994

IUPACmethyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1ccco1)C1CCCCC1
InChIInChI=1S/C13H18O4/c1-16-12(14)13(15,11-8-5-9-17-11)10-6-3-2-4-7-10/h5,8-10,15H,2-4,6-7H2,1H3
InChIKeyBZVGZTYXODSEOQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.22
Rot. Bonds3

About methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate

methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate (PubChem CID 66958994) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate
PubChem CID66958994
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)(c1ccco1)C1CCCCC1
InChIInChI=1S/C13H18O4/c1-16-12(14)13(15,11-8-5-9-17-11)10-6-3-2-4-7-10/h5,8-10,15H,2-4,6-7H2,1H3
InChIKeyBZVGZTYXODSEOQ-UHFFFAOYSA-N
XLogP2.22
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-methylpyrrolidin-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate
CID 86602260
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
[(3R)-1-(pyridazin-3-ylcarbamoyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate
CID 67538676
[(3R)-1-(2-amino-2-oxo-1-pyrimidin-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate
CID 87456381
[1-methyl-1-(2-phenylmethoxyethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate;2,2,2-trifluoroacetate
CID 10415286
[(3R)-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate;2,2,2-trifluoroacetate
CID 10209475
methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate
CID 141249860
2-cyclopropyl-2-(furan-2-yl)propanoic acid
CID 83828151
(3S)-3-[1-(furan-2-yl)-1-hydroxyethyl]cyclohexan-1-one
CID 102599972
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
2-(furan-2-yl)propan-2-ol;methoxymethane
CID 174924617

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate (CID 66958994) is methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate is COC(=O)C(O)(c1ccco1)C1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate?
The InChIKey is BZVGZTYXODSEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-16-12(14)13(15,11-8-5-9-17-11)10-6-3-2-4-7-10/h5,8-10,15H,2-4,6-7H2,1H3.
What are the key properties of methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate?
methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate has a molecular weight of 238.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyl-2-(furan-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 66958994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).