cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate

C17H24O2 — CID 139473616

IUPACcyclohexyl 2-methyl-3-(3-methylphenyl)propanoate
SMILESCc1cccc(CC(C)C(=O)OC2CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13-7-6-8-15(11-13)12-14(2)17(18)19-16-9-4-3-5-10-16/h6-8,11,14,16H,3-5,9-10,12H2,1-2H3
InChIKeyQHMZPRJXSYAIHV-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.05
Rot. Bonds4

About cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate

cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate (PubChem CID 139473616) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-methyl-3-(3-methylphenyl)propanoate
PubChem CID139473616
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Namecyclohexyl 2-methyl-3-(3-methylphenyl)propanoate
SMILESCc1cccc(CC(C)C(=O)OC2CCCCC2)c1
InChIInChI=1S/C17H24O2/c1-13-7-6-8-15(11-13)12-14(2)17(18)19-16-9-4-3-5-10-16/h6-8,11,14,16H,3-5,9-10,12H2,1-2H3
InChIKeyQHMZPRJXSYAIHV-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
cyclopentyl 2-methyl-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate
CID 174372087
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
cyclohexyl 3-iodo-2-methylpropanoate
CID 155283171
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate?
The IUPAC name of cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate (CID 139473616) is cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate.
What is the SMILES notation for cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate?
The canonical SMILES for cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate is Cc1cccc(CC(C)C(=O)OC2CCCCC2)c1.
What is the InChIKey of cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate?
The InChIKey is QHMZPRJXSYAIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-7-6-8-15(11-13)12-14(2)17(18)19-16-9-4-3-5-10-16/h6-8,11,14,16H,3-5,9-10,12H2,1-2H3.
What are the key properties of cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate?
cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate has a molecular weight of 260.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-methyl-3-(3-methylphenyl)propanoate is sourced from PubChem (CID 139473616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).