propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate

C18H24O4 — CID 55664981

IUPACpropan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
SMILESCC(C)OC(=O)c1ccc(OCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24O4/c1-13(2)22-18(20)15-8-10-16(11-9-15)21-12-17(19)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyKGMFFYXOFRLGIM-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.78
Rot. Bonds6

About propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate

propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate (PubChem CID 55664981) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
PubChem CID55664981
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namepropan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate
SMILESCC(C)OC(=O)c1ccc(OCC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24O4/c1-13(2)22-18(20)15-8-10-16(11-9-15)21-12-17(19)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3
InChIKeyKGMFFYXOFRLGIM-UHFFFAOYSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
1-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 104751881
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
1-cyclopentyl-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 104751852
2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273
2-(4-bromo-3-methylphenoxy)-1-cyclohexylethanone
CID 113449053
propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
CID 55664888
propan-2-yl 4-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]benzoate
CID 7965181

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate?
The IUPAC name of propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate (CID 55664981) is propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate.
What is the SMILES notation for propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate?
The canonical SMILES for propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate is CC(C)OC(=O)c1ccc(OCC(=O)C2CCCCC2)cc1.
What is the InChIKey of propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate?
The InChIKey is KGMFFYXOFRLGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-13(2)22-18(20)15-8-10-16(11-9-15)21-12-17(19)14-6-4-3-5-7-14/h8-11,13-14H,3-7,12H2,1-2H3.
What are the key properties of propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate?
propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate has a molecular weight of 304.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-cyclohexyl-2-oxoethoxy)benzoate is sourced from PubChem (CID 55664981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).