methyl 2-(2-phenylcyclopropyl)benzoate

C17H16O2 — CID 54447263

IUPACmethyl 2-(2-phenylcyclopropyl)benzoate
SMILESCOC(=O)c1ccccc1C1CC1c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17(18)14-10-6-5-9-13(14)16-11-15(16)12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3
InChIKeyWSKDZWFSQWIJFK-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.74
Rot. Bonds3

About methyl 2-(2-phenylcyclopropyl)benzoate

methyl 2-(2-phenylcyclopropyl)benzoate (PubChem CID 54447263) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-(2-phenylcyclopropyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylcyclopropyl)benzoate
PubChem CID54447263
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namemethyl 2-(2-phenylcyclopropyl)benzoate
SMILESCOC(=O)c1ccccc1C1CC1c1ccccc1
InChIInChI=1S/C17H16O2/c1-19-17(18)14-10-6-5-9-13(14)16-11-15(16)12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3
InChIKeyWSKDZWFSQWIJFK-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3R,4S)-3,4-dihydroxycyclopentyl]benzoate
CID 68811032
methyl 2-[(4S,5R)-5-carbamoyl-4-phenylpyrrolidin-3-yl]benzoate
CID 118089264
[2-[(1S,2R)-2-phenylcyclopropyl]phenyl] acetate
CID 100932606
methyl 2-(2,2-difluorocyclopropyl)benzoate
CID 121314140
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(2S)-azetidin-2-yl]benzoate;hydrochloride
CID 171196927
methyl 2-(4-oxocyclohexyl)benzoate
CID 170755428
methyl 2-(4-bromopyrrolidin-2-yl)benzoate
CID 156768354
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
dimethyl 2-(2-methoxycarbonylphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylate
CID 170901933
methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 103199626

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylcyclopropyl)benzoate?
The IUPAC name of methyl 2-(2-phenylcyclopropyl)benzoate (CID 54447263) is methyl 2-(2-phenylcyclopropyl)benzoate.
What is the SMILES notation for methyl 2-(2-phenylcyclopropyl)benzoate?
The canonical SMILES for methyl 2-(2-phenylcyclopropyl)benzoate is COC(=O)c1ccccc1C1CC1c1ccccc1.
What is the InChIKey of methyl 2-(2-phenylcyclopropyl)benzoate?
The InChIKey is WSKDZWFSQWIJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-19-17(18)14-10-6-5-9-13(14)16-11-15(16)12-7-3-2-4-8-12/h2-10,15-16H,11H2,1H3.
What are the key properties of methyl 2-(2-phenylcyclopropyl)benzoate?
methyl 2-(2-phenylcyclopropyl)benzoate has a molecular weight of 252.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylcyclopropyl)benzoate is sourced from PubChem (CID 54447263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).