methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate

C12H13ClO2 — CID 174792634

IUPACmethyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C1(Cl)CC1
InChIInChI=1S/C12H13ClO2/c1-15-11(14)8-9-4-2-3-5-10(9)12(13)6-7-12/h2-5H,6-8H2,1H3
InChIKeyWAAITVHXVDOSJW-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.63
Rot. Bonds3

About methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate

methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate (PubChem CID 174792634) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate
PubChem CID174792634
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Namemethyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1C1(Cl)CC1
InChIInChI=1S/C12H13ClO2/c1-15-11(14)8-9-4-2-3-5-10(9)12(13)6-7-12/h2-5H,6-8H2,1H3
InChIKeyWAAITVHXVDOSJW-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
CID 115031363
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
CID 134496722
methyl 2-[2-(2,5-dihydropyrrol-1-yl)phenyl]acetate
CID 10398443
methyl 2-[2-[(cycloheptylamino)methyl]phenyl]acetate
CID 115461578
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate (CID 174792634) is methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate is COC(=O)Cc1ccccc1C1(Cl)CC1.
What is the InChIKey of methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate?
The InChIKey is WAAITVHXVDOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-15-11(14)8-9-4-2-3-5-10(9)12(13)6-7-12/h2-5H,6-8H2,1H3.
What are the key properties of methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate?
methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate has a molecular weight of 224.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate is sourced from PubChem (CID 174792634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).