methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate

C15H18O5 — CID 142285688

IUPACmethyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)ccc1OC(=O)C1CCCCC1
InChIInChI=1S/C15H18O5/c1-19-15(18)12-9-11(16)7-8-13(12)20-14(17)10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3
InChIKeyNXEGWYLUPQMCOT-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate

methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate (PubChem CID 142285688) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate
PubChem CID142285688
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namemethyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)ccc1OC(=O)C1CCCCC1
InChIInChI=1S/C15H18O5/c1-19-15(18)12-9-11(16)7-8-13(12)20-14(17)10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3
InChIKeyNXEGWYLUPQMCOT-UHFFFAOYSA-N
XLogP2.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-formyl-2-methoxyphenyl) cyclohexanecarboxylate
CID 4504529
[4-(cyclohexanecarbonyloxy)-3-methylphenyl] cyclohexanecarboxylate
CID 849296
(2,5-dimethylphenyl) cyclopentanecarboxylate
CID 849152
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
ethyl 2-(cyclohexanecarbonyloxy)benzoate
CID 151472911
methyl 5-hydroxy-2-(4-hydroxy-2-methoxycarbonylphenyl)benzoate
CID 132546246
N-[2-(cyclohexanecarbonyl)-4-hydroxyphenyl]acetamide
CID 67874762
methyl 2-[4-(aminomethyl)cyclohexanecarbonyl]oxy-5-carbamimidoylbenzoate;dihydrobromide
CID 18597681
[4-[(Z)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] cyclohexanecarboxylate
CID 733849
[2-(cyclohexanecarbonyloxy)-4-[2-(propan-2-ylamino)ethyl]phenyl] cyclohexanecarboxylate
CID 19794520
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate?
The IUPAC name of methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate (CID 142285688) is methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate.
What is the SMILES notation for methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate?
The canonical SMILES for methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate is COC(=O)c1cc(O)ccc1OC(=O)C1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate?
The InChIKey is NXEGWYLUPQMCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-19-15(18)12-9-11(16)7-8-13(12)20-14(17)10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3.
What are the key properties of methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate?
methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate has a molecular weight of 278.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexanecarbonyloxy)-5-hydroxybenzoate is sourced from PubChem (CID 142285688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).