2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate

C14H18O3 — CID 175477899

IUPAC2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate
SMILESCOc1cccc(CCOC(=O)C2CCC2)c1
InChIInChI=1S/C14H18O3/c1-16-13-7-2-4-11(10-13)8-9-17-14(15)12-5-3-6-12/h2,4,7,10,12H,3,5-6,8-9H2,1H3
InChIKeyQDCMVGTZINSZTQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.58
Rot. Bonds5

About 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate

2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate (PubChem CID 175477899) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate
PubChem CID175477899
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate
SMILESCOc1cccc(CCOC(=O)C2CCC2)c1
InChIInChI=1S/C14H18O3/c1-16-13-7-2-4-11(10-13)8-9-17-14(15)12-5-3-6-12/h2,4,7,10,12H,3,5-6,8-9H2,1H3
InChIKeyQDCMVGTZINSZTQ-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
CID 166373036
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
(3-methoxyphenyl)methyl 4-(aminomethyl)cyclohexane-1-carboxylate
CID 79525224
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187047
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
3-(3-methoxyphenyl)propyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate
CID 10668143
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
CID 112983566
methyl 1-[2-(3-methoxyphenyl)ethyl]azetidine-2-carboxylate
CID 107850027
ethyl 1-[N-[2-(3-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157375
2-(3-ethylphenoxy)ethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55309409

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate?
The IUPAC name of 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate (CID 175477899) is 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate?
The canonical SMILES for 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate is COc1cccc(CCOC(=O)C2CCC2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate?
The InChIKey is QDCMVGTZINSZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-7-2-4-11(10-13)8-9-17-14(15)12-5-3-6-12/h2,4,7,10,12H,3,5-6,8-9H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate?
2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate has a molecular weight of 234.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)ethyl cyclobutanecarboxylate is sourced from PubChem (CID 175477899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).