methyl 3-(2-methoxycarbonylcyclopropyl)benzoate

C13H14O4 — CID 175336180

IUPACmethyl 3-(2-methoxycarbonylcyclopropyl)benzoate
SMILESCOC(=O)c1cccc(C2CC2C(=O)OC)c1
InChIInChI=1S/C13H14O4/c1-16-12(14)9-5-3-4-8(6-9)10-7-11(10)13(15)17-2/h3-6,10-11H,7H2,1-2H3
InChIKeyYSXBIYIAHNHXGS-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.75
Rot. Bonds3

About methyl 3-(2-methoxycarbonylcyclopropyl)benzoate

methyl 3-(2-methoxycarbonylcyclopropyl)benzoate (PubChem CID 175336180) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(2-methoxycarbonylcyclopropyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxycarbonylcyclopropyl)benzoate
PubChem CID175336180
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Namemethyl 3-(2-methoxycarbonylcyclopropyl)benzoate
SMILESCOC(=O)c1cccc(C2CC2C(=O)OC)c1
InChIInChI=1S/C13H14O4/c1-16-12(14)9-5-3-4-8(6-9)10-7-11(10)13(15)17-2/h3-6,10-11H,7H2,1-2H3
InChIKeyYSXBIYIAHNHXGS-UHFFFAOYSA-N
XLogP1.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl 3-[2-(2-naphthalen-2-ylacetyl)cyclopropyl]benzoate
CID 161270022
methyl 3-(dioxiran-3-yl)benzoate
CID 174371553
methyl 3-cyclohexylbenzoate
CID 67160762
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[(2R)-piperazin-2-yl]benzoate
CID 171194660
trans-methyl (1S,2S)-2-(4-aminophenyl)cyclopropane-1-carboxylate
CID 124585525
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxycarbonylcyclopropyl)benzoate?
The IUPAC name of methyl 3-(2-methoxycarbonylcyclopropyl)benzoate (CID 175336180) is methyl 3-(2-methoxycarbonylcyclopropyl)benzoate.
What is the SMILES notation for methyl 3-(2-methoxycarbonylcyclopropyl)benzoate?
The canonical SMILES for methyl 3-(2-methoxycarbonylcyclopropyl)benzoate is COC(=O)c1cccc(C2CC2C(=O)OC)c1.
What is the InChIKey of methyl 3-(2-methoxycarbonylcyclopropyl)benzoate?
The InChIKey is YSXBIYIAHNHXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-12(14)9-5-3-4-8(6-9)10-7-11(10)13(15)17-2/h3-6,10-11H,7H2,1-2H3.
What are the key properties of methyl 3-(2-methoxycarbonylcyclopropyl)benzoate?
methyl 3-(2-methoxycarbonylcyclopropyl)benzoate has a molecular weight of 234.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxycarbonylcyclopropyl)benzoate is sourced from PubChem (CID 175336180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).