cyclopenten-1-ylmethyl 2-hydroxybenzoate

C13H14O3 — CID 154511016

IUPACcyclopenten-1-ylmethyl 2-hydroxybenzoate
SMILESO=C(OCC1=CCCC1)c1ccccc1O
InChIInChI=1S/C13H14O3/c14-12-8-4-3-7-11(12)13(15)16-9-10-5-1-2-6-10/h3-5,7-8,14H,1-2,6,9H2
InChIKeySSCMCPHEXPHLMX-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.66
Rot. Bonds3

About cyclopenten-1-ylmethyl 2-hydroxybenzoate

cyclopenten-1-ylmethyl 2-hydroxybenzoate (PubChem CID 154511016) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is cyclopenten-1-ylmethyl 2-hydroxybenzoate.

Molecular Properties

Compound Namecyclopenten-1-ylmethyl 2-hydroxybenzoate
PubChem CID154511016
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namecyclopenten-1-ylmethyl 2-hydroxybenzoate
SMILESO=C(OCC1=CCCC1)c1ccccc1O
InChIInChI=1S/C13H14O3/c14-12-8-4-3-7-11(12)13(15)16-9-10-5-1-2-6-10/h3-5,7-8,14H,1-2,6,9H2
InChIKeySSCMCPHEXPHLMX-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexen-1-ylmethoxycarbonyl)benzoate
CID 18324577
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
2-chloroethyl 2-hydroxybenzoate
CID 13052757
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
amino 2-hydroxybenzoate
CID 12598418
2-piperidin-1-ylethyl 2-hydroxybenzoate
CID 12633972
(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
CID 175168721
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
dihydroxyphosphanyl 2-hydroxybenzoate
CID 141059602
[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 59101861

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-ylmethyl 2-hydroxybenzoate?
The IUPAC name of cyclopenten-1-ylmethyl 2-hydroxybenzoate (CID 154511016) is cyclopenten-1-ylmethyl 2-hydroxybenzoate.
What is the SMILES notation for cyclopenten-1-ylmethyl 2-hydroxybenzoate?
The canonical SMILES for cyclopenten-1-ylmethyl 2-hydroxybenzoate is O=C(OCC1=CCCC1)c1ccccc1O.
What is the InChIKey of cyclopenten-1-ylmethyl 2-hydroxybenzoate?
The InChIKey is SSCMCPHEXPHLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-12-8-4-3-7-11(12)13(15)16-9-10-5-1-2-6-10/h3-5,7-8,14H,1-2,6,9H2.
What are the key properties of cyclopenten-1-ylmethyl 2-hydroxybenzoate?
cyclopenten-1-ylmethyl 2-hydroxybenzoate has a molecular weight of 218.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylmethyl 2-hydroxybenzoate is sourced from PubChem (CID 154511016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).