ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate

C16H22O3 — CID 155685861

IUPACethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate
SMILESCCOC(=O)c1cc(C2CCCCC2)c(O)cc1C
InChIInChI=1S/C16H22O3/c1-3-19-16(18)13-10-14(15(17)9-11(13)2)12-7-5-4-6-8-12/h9-10,12,17H,3-8H2,1-2H3
InChIKeyFKJGAYPJAUGNNQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.93
Rot. Bonds3

About ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate

ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate (PubChem CID 155685861) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate.

Molecular Properties

Compound Nameethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate
PubChem CID155685861
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate
SMILESCCOC(=O)c1cc(C2CCCCC2)c(O)cc1C
InChIInChI=1S/C16H22O3/c1-3-19-16(18)13-10-14(15(17)9-11(13)2)12-7-5-4-6-8-12/h9-10,12,17H,3-8H2,1-2H3
InChIKeyFKJGAYPJAUGNNQ-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 5-cyclohexyl-4-hydroxy-2-methylbenzoate
CID 175708072
ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate
CID 20515140
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
ethyl 2-cyclobutylbenzoate
CID 106942755
2,4-dicyclohexyl-5-methylphenol;2,4,5-triethylphenol
CID 142247556
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
ethyl 3-(4-cycloheptyl-3-hydroxyphenyl)butanoate
CID 22718788
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
ethyl 2-cyclopropylbenzoate
CID 118105330
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol
CID 139696623
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol
CID 139696622
4-cyclohexyl-5-ethoxy-2-methylphenol
CID 59929209

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate?
The IUPAC name of ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate (CID 155685861) is ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate.
What is the SMILES notation for ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate?
The canonical SMILES for ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate is CCOC(=O)c1cc(C2CCCCC2)c(O)cc1C.
What is the InChIKey of ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate?
The InChIKey is FKJGAYPJAUGNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-19-16(18)13-10-14(15(17)9-11(13)2)12-7-5-4-6-8-12/h9-10,12,17H,3-8H2,1-2H3.
What are the key properties of ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate?
ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate has a molecular weight of 262.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate is sourced from PubChem (CID 155685861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).