(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate

C12H14O3 — CID 78777290

IUPAC(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate
SMILESCOc1ccccc1OC(=O)C1CC1C
InChIInChI=1S/C12H14O3/c1-8-7-9(8)12(13)15-11-6-4-3-5-10(11)14-2/h3-6,8-9H,7H2,1-2H3
InChIKeyQVVWLFMDDZICIC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.26
Rot. Bonds3

About (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate

(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate (PubChem CID 78777290) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate
PubChem CID78777290
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate
SMILESCOc1ccccc1OC(=O)C1CC1C
InChIInChI=1S/C12H14O3/c1-8-7-9(8)12(13)15-11-6-4-3-5-10(11)14-2/h3-6,8-9H,7H2,1-2H3
InChIKeyQVVWLFMDDZICIC-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230441
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
(1S,2S,3R)-2-(2-methoxyphenyl)-3-naphthalen-1-yloxycarbonylcyclobutane-1-carboxylic acid
CID 163249674
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
CID 43340021
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
[3-(2-methylcyclopropanecarbonyl)oxyphenyl] benzoate
CID 75426483
(2-methoxyphenyl) prop-2-enoate
CID 22987486
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
1,2-dimethoxybenzene;dihydrochloride
CID 19834650

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate?
The IUPAC name of (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate (CID 78777290) is (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate is COc1ccccc1OC(=O)C1CC1C.
What is the InChIKey of (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate?
The InChIKey is QVVWLFMDDZICIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-7-9(8)12(13)15-11-6-4-3-5-10(11)14-2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate?
(2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 78777290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).