cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid

C17H24O4 — CID 70151849

IUPACcyclohexylmethanol;4-(ethenoxymethyl)benzoic acid
SMILESC=COCc1ccc(C(=O)O)cc1.OCC1CCCCC1
InChIInChI=1S/C10H10O3.C7H14O/c1-2-13-7-8-3-5-9(6-4-8)10(11)12;8-6-7-4-2-1-3-5-7/h2-6H,1,7H2,(H,11,12);7-8H,1-6H2
InChIKeyIOHMNNMZUDGEGH-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.60
Rot. Bonds5

About cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid

cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid (PubChem CID 70151849) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid.

Molecular Properties

Compound Namecyclohexylmethanol;4-(ethenoxymethyl)benzoic acid
PubChem CID70151849
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namecyclohexylmethanol;4-(ethenoxymethyl)benzoic acid
SMILESC=COCc1ccc(C(=O)O)cc1.OCC1CCCCC1
InChIInChI=1S/C10H10O3.C7H14O/c1-2-13-7-8-3-5-9(6-4-8)10(11)12;8-6-7-4-2-1-3-5-7/h2-6H,1,7H2,(H,11,12);7-8H,1-6H2
InChIKeyIOHMNNMZUDGEGH-UHFFFAOYSA-N
XLogP3.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
ethane-1,2-diol;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
CID 45157494
ethane-1,2-diol;[4-(hydroxymethyl)cyclohexyl]methanol;terephthalic acid
CID 175291008
4-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199345
2-[[4-(ethenoxymethyl)phenyl]methoxy]-2-oxoacetic acid
CID 139924862
[4-(ethenoxymethyl)phenyl]methyl benzoate
CID 139924856
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
CID 118182040
benzoic acid;methoxymethylcyclohexane
CID 175415905
4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
CID 131983406
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid?
The IUPAC name of cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid (CID 70151849) is cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid.
What is the SMILES notation for cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid?
The canonical SMILES for cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid is C=COCc1ccc(C(=O)O)cc1.OCC1CCCCC1.
What is the InChIKey of cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid?
The InChIKey is IOHMNNMZUDGEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C7H14O/c1-2-13-7-8-3-5-9(6-4-8)10(11)12;8-6-7-4-2-1-3-5-7/h2-6H,1,7H2,(H,11,12);7-8H,1-6H2.
What are the key properties of cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid?
cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethanol;4-(ethenoxymethyl)benzoic acid is sourced from PubChem (CID 70151849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).