methyl 2-(4-hydroxycyclohexyl)oxybenzoate

C14H18O4 — CID 117053868

IUPACmethyl 2-(4-hydroxycyclohexyl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC1CCC(O)CC1
InChIInChI=1S/C14H18O4/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-5,10-11,15H,6-9H2,1H3
InChIKeyBXFVXVGVKSMLON-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.16
Rot. Bonds3

About methyl 2-(4-hydroxycyclohexyl)oxybenzoate

methyl 2-(4-hydroxycyclohexyl)oxybenzoate (PubChem CID 117053868) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is methyl 2-(4-hydroxycyclohexyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxycyclohexyl)oxybenzoate
PubChem CID117053868
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namemethyl 2-(4-hydroxycyclohexyl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC1CCC(O)CC1
InChIInChI=1S/C14H18O4/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-5,10-11,15H,6-9H2,1H3
InChIKeyBXFVXVGVKSMLON-UHFFFAOYSA-N
XLogP2.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclohexyloxybenzoate
CID 11345342
methyl 2-(thian-4-yloxy)benzoate
CID 117053874
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
CID 86322513
1-[2-(4-aminocyclohexyl)oxyphenyl]ethanone
CID 117051794
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
methyl 2-(2-oxopyrrolidin-3-yl)oxybenzoate
CID 117053862
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
methyl 2-(2-bicyclo[2.2.1]heptanyloxy)benzoate
CID 117053875
methyl 2-(cyclopropylamino)benzoate
CID 83697867
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxycyclohexyl)oxybenzoate?
The IUPAC name of methyl 2-(4-hydroxycyclohexyl)oxybenzoate (CID 117053868) is methyl 2-(4-hydroxycyclohexyl)oxybenzoate.
What is the SMILES notation for methyl 2-(4-hydroxycyclohexyl)oxybenzoate?
The canonical SMILES for methyl 2-(4-hydroxycyclohexyl)oxybenzoate is COC(=O)c1ccccc1OC1CCC(O)CC1.
What is the InChIKey of methyl 2-(4-hydroxycyclohexyl)oxybenzoate?
The InChIKey is BXFVXVGVKSMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of methyl 2-(4-hydroxycyclohexyl)oxybenzoate?
methyl 2-(4-hydroxycyclohexyl)oxybenzoate has a molecular weight of 250.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxycyclohexyl)oxybenzoate is sourced from PubChem (CID 117053868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).