methyl 2-cyclohexyloxybenzoate

C14H18O3 — CID 11345342

IUPACmethyl 2-cyclohexyloxybenzoate
SMILESCOC(=O)c1ccccc1OC1CCCCC1
InChIInChI=1S/C14H18O3/c1-16-14(15)12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCGNXPXPTRWBGHN-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.18
Rot. Bonds3

About methyl 2-cyclohexyloxybenzoate

methyl 2-cyclohexyloxybenzoate (PubChem CID 11345342) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-cyclohexyloxybenzoate.

Molecular Properties

Compound Namemethyl 2-cyclohexyloxybenzoate
PubChem CID11345342
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namemethyl 2-cyclohexyloxybenzoate
SMILESCOC(=O)c1ccccc1OC1CCCCC1
InChIInChI=1S/C14H18O3/c1-16-14(15)12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyCGNXPXPTRWBGHN-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-hydroxycyclohexyl)oxybenzoate
CID 117053868
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
methyl 2-(thian-4-yloxy)benzoate
CID 117053874
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
CID 86322513
(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid
CID 24822808
cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid
CID 142758363
2-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466231
1,2-dicyclohexyloxybenzene
CID 67331328
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclohexyloxybenzoate?
The IUPAC name of methyl 2-cyclohexyloxybenzoate (CID 11345342) is methyl 2-cyclohexyloxybenzoate.
What is the SMILES notation for methyl 2-cyclohexyloxybenzoate?
The canonical SMILES for methyl 2-cyclohexyloxybenzoate is COC(=O)c1ccccc1OC1CCCCC1.
What is the InChIKey of methyl 2-cyclohexyloxybenzoate?
The InChIKey is CGNXPXPTRWBGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-14(15)12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of methyl 2-cyclohexyloxybenzoate?
methyl 2-cyclohexyloxybenzoate has a molecular weight of 234.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclohexyloxybenzoate is sourced from PubChem (CID 11345342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).