methyl 3-(1-hydroxycyclopropyl)benzoate

C11H12O3 — CID 130756683

IUPACmethyl 3-(1-hydroxycyclopropyl)benzoate
SMILESCOC(=O)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C11H12O3/c1-14-10(12)8-3-2-4-9(7-8)11(13)5-6-11/h2-4,7,13H,5-6H2,1H3
InChIKeyZYCCOWDJTZHHAZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.45
Rot. Bonds2

About methyl 3-(1-hydroxycyclopropyl)benzoate

methyl 3-(1-hydroxycyclopropyl)benzoate (PubChem CID 130756683) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl 3-(1-hydroxycyclopropyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxycyclopropyl)benzoate
PubChem CID130756683
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl 3-(1-hydroxycyclopropyl)benzoate
SMILESCOC(=O)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C11H12O3/c1-14-10(12)8-3-2-4-9(7-8)11(13)5-6-11/h2-4,7,13H,5-6H2,1H3
InChIKeyZYCCOWDJTZHHAZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-(3-methylpyrrolidin-3-yl)benzoate
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methyl 3-(3-fluoroazetidin-3-yl)benzoate;hydrochloride
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methyl 3-[1-(2-chloro-4-hydroxyphenyl)-3-hydroxyazetidin-3-yl]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxycyclopropyl)benzoate?
The IUPAC name of methyl 3-(1-hydroxycyclopropyl)benzoate (CID 130756683) is methyl 3-(1-hydroxycyclopropyl)benzoate.
What is the SMILES notation for methyl 3-(1-hydroxycyclopropyl)benzoate?
The canonical SMILES for methyl 3-(1-hydroxycyclopropyl)benzoate is COC(=O)c1cccc(C2(O)CC2)c1.
What is the InChIKey of methyl 3-(1-hydroxycyclopropyl)benzoate?
The InChIKey is ZYCCOWDJTZHHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-14-10(12)8-3-2-4-9(7-8)11(13)5-6-11/h2-4,7,13H,5-6H2,1H3.
What are the key properties of methyl 3-(1-hydroxycyclopropyl)benzoate?
methyl 3-(1-hydroxycyclopropyl)benzoate has a molecular weight of 192.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxycyclopropyl)benzoate is sourced from PubChem (CID 130756683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).