methyl 2-cyclopropyl-2-phenylacetate

C12H14O2 — CID 82075532

IUPACmethyl 2-cyclopropyl-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CC1
InChIInChI=1S/C12H14O2/c1-14-12(13)11(10-7-8-10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyFMQYMIRDQVKFJF-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.35
Rot. Bonds3

About methyl 2-cyclopropyl-2-phenylacetate

methyl 2-cyclopropyl-2-phenylacetate (PubChem CID 82075532) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-phenylacetate
PubChem CID82075532
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namemethyl 2-cyclopropyl-2-phenylacetate
SMILESCOC(=O)C(c1ccccc1)C1CC1
InChIInChI=1S/C12H14O2/c1-14-12(13)11(10-7-8-10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3
InChIKeyFMQYMIRDQVKFJF-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
methyl 2-cyclopent-2-en-1-yl-2-phenylacetate
CID 10775105
methyl 2-(2-methyl-3,4,5,6,7,8,9,10-octahydro-2H-cyclonona[b]thiophen-7-yl)-2-phenylacetate
CID 123839051
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158
methyl 2-phenyl-2-piperidin-2-ylacetate;hydrobromide
CID 67605642
2-cyclopropyl-2-[(2-methoxy-2-oxo-1-phenylethyl)amino]acetic acid
CID 103247940
methyl 2-[[cyclopropyl(phenyl)methyl]amino]-3-methylbutanoate
CID 60722411

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-phenylacetate?
The IUPAC name of methyl 2-cyclopropyl-2-phenylacetate (CID 82075532) is methyl 2-cyclopropyl-2-phenylacetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-phenylacetate?
The canonical SMILES for methyl 2-cyclopropyl-2-phenylacetate is COC(=O)C(c1ccccc1)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-phenylacetate?
The InChIKey is FMQYMIRDQVKFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12(13)11(10-7-8-10)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-phenylacetate?
methyl 2-cyclopropyl-2-phenylacetate has a molecular weight of 190.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-phenylacetate is sourced from PubChem (CID 82075532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).