2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate

C19H26O3 — CID 143322781

IUPAC2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate
SMILESO=C(OCCC1(CCOCc2ccccc2)CC1)C1CCC1
InChIInChI=1S/C19H26O3/c20-18(17-7-4-8-17)22-14-12-19(9-10-19)11-13-21-15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2
InChIKeySOKIWMOAKGQDMD-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.11
Rot. Bonds9

About 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate

2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate (PubChem CID 143322781) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate.

Molecular Properties

Compound Name2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate
PubChem CID143322781
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate
SMILESO=C(OCCC1(CCOCc2ccccc2)CC1)C1CCC1
InChIInChI=1S/C19H26O3/c20-18(17-7-4-8-17)22-14-12-19(9-10-19)11-13-21-15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2
InChIKeySOKIWMOAKGQDMD-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxyethyl cyclopropanecarboxylate
CID 21489661
2-[1-(2-phenylmethoxyethyl)cyclohexyl]ethanol
CID 59714985
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
CID 142666822
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide
CID 173103378
bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
benzyl 8-hydroxy-8-prop-2-enylcyclopentadecane-1-carboxylate
CID 118601136
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate?
The IUPAC name of 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate (CID 143322781) is 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate.
What is the SMILES notation for 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate?
The canonical SMILES for 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate is O=C(OCCC1(CCOCc2ccccc2)CC1)C1CCC1.
What is the InChIKey of 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate?
The InChIKey is SOKIWMOAKGQDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c20-18(17-7-4-8-17)22-14-12-19(9-10-19)11-13-21-15-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2.
What are the key properties of 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate?
2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate has a molecular weight of 302.41 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate is sourced from PubChem (CID 143322781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).