2-phenylmethoxyethyl cyclopropanecarboxylate

C13H16O3 — CID 21489661

IUPAC2-phenylmethoxyethyl cyclopropanecarboxylate
SMILESO=C(OCCOCc1ccccc1)C1CC1
InChIInChI=1S/C13H16O3/c14-13(12-6-7-12)16-9-8-15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyNWKWDRRMLJQSHE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds6

About 2-phenylmethoxyethyl cyclopropanecarboxylate

2-phenylmethoxyethyl cyclopropanecarboxylate (PubChem CID 21489661) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-phenylmethoxyethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-phenylmethoxyethyl cyclopropanecarboxylate
PubChem CID21489661
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-phenylmethoxyethyl cyclopropanecarboxylate
SMILESO=C(OCCOCc1ccccc1)C1CC1
InChIInChI=1S/C13H16O3/c14-13(12-6-7-12)16-9-8-15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyNWKWDRRMLJQSHE-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
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

bis(3-phenylpropyl) cyclohexane-1,4-dicarboxylate
CID 71382772
2-[1-(2-phenylmethoxyethyl)cyclopropyl]ethyl cyclobutanecarboxylate
CID 143322781
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
1-O-[4-(2-methoxyethoxy)phenyl] 4-O-[4-(2-phenylmethoxyethoxy)phenyl] cyclohexane-1,4-dicarboxylate
CID 59429050
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
aminomethyl 2-phenylmethoxyethyl carbonate
CID 134483943
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
2-phenylmethoxyethyl sulfanylmethyl carbonate
CID 139402472
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
methyl (1S)-3-(3-phenylmethoxypropoxy)cyclopentane-1-carboxylate
CID 59907113

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyethyl cyclopropanecarboxylate?
The IUPAC name of 2-phenylmethoxyethyl cyclopropanecarboxylate (CID 21489661) is 2-phenylmethoxyethyl cyclopropanecarboxylate.
What is the SMILES notation for 2-phenylmethoxyethyl cyclopropanecarboxylate?
The canonical SMILES for 2-phenylmethoxyethyl cyclopropanecarboxylate is O=C(OCCOCc1ccccc1)C1CC1.
What is the InChIKey of 2-phenylmethoxyethyl cyclopropanecarboxylate?
The InChIKey is NWKWDRRMLJQSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-13(12-6-7-12)16-9-8-15-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 2-phenylmethoxyethyl cyclopropanecarboxylate?
2-phenylmethoxyethyl cyclopropanecarboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethyl cyclopropanecarboxylate is sourced from PubChem (CID 21489661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).