cyclopropyloxymethyl benzoate

C11H12O3 — CID 150112957

IUPACcyclopropyloxymethyl benzoate
SMILESO=C(OCOC1CC1)c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(9-4-2-1-3-5-9)14-8-13-10-6-7-10/h1-5,10H,6-8H2
InChIKeyDXQMHMFQSDWNDQ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.98
Rot. Bonds4

About cyclopropyloxymethyl benzoate

cyclopropyloxymethyl benzoate (PubChem CID 150112957) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is cyclopropyloxymethyl benzoate.

Molecular Properties

Compound Namecyclopropyloxymethyl benzoate
PubChem CID150112957
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namecyclopropyloxymethyl benzoate
SMILESO=C(OCOC1CC1)c1ccccc1
InChIInChI=1S/C11H12O3/c12-11(9-4-2-1-3-5-9)14-8-13-10-6-7-10/h1-5,10H,6-8H2
InChIKeyDXQMHMFQSDWNDQ-UHFFFAOYSA-N
XLogP1.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[4-(cyclohexyloxymethoxy)cyclohexyl]ethyl]cyclohexyl] benzoate
CID 20724189
CID 158970570
CID 158970570
2-(2,2-dimethylcyclopropyl)oxyethyl benzoate;ethane
CID 155714321
[2,2-bis(hydroxymethyl)cyclopropyl]methyl benzoate
CID 10823698
phenyl 4-[4-(phenoxymethoxy)cyclohexyl]benzoate
CID 20724479
potassium hydroxymethyl benzoate
CID 22993318
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-[(3R)-1,1-dioxothiolan-3-yl]oxyethyl benzoate
CID 99976273
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
pentoxymethyl benzoate
CID 67613066
2-methoxyethoxymethyl benzoate
CID 11275823

Frequently Asked Questions

What is the IUPAC name of cyclopropyloxymethyl benzoate?
The IUPAC name of cyclopropyloxymethyl benzoate (CID 150112957) is cyclopropyloxymethyl benzoate.
What is the SMILES notation for cyclopropyloxymethyl benzoate?
The canonical SMILES for cyclopropyloxymethyl benzoate is O=C(OCOC1CC1)c1ccccc1.
What is the InChIKey of cyclopropyloxymethyl benzoate?
The InChIKey is DXQMHMFQSDWNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(9-4-2-1-3-5-9)14-8-13-10-6-7-10/h1-5,10H,6-8H2.
What are the key properties of cyclopropyloxymethyl benzoate?
cyclopropyloxymethyl benzoate has a molecular weight of 192.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyloxymethyl benzoate is sourced from PubChem (CID 150112957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).