(4-ethenylphenyl)methyl cyclopentanecarboxylate

C15H18O2 — CID 175015138

IUPAC(4-ethenylphenyl)methyl cyclopentanecarboxylate
SMILESC=Cc1ccc(COC(=O)C2CCCC2)cc1
InChIInChI=1S/C15H18O2/c1-2-12-7-9-13(10-8-12)11-17-15(16)14-5-3-4-6-14/h2,7-10,14H,1,3-6,11H2
InChIKeyZPEPDMWPHMLKEZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.56
Rot. Bonds4

About (4-ethenylphenyl)methyl cyclopentanecarboxylate

(4-ethenylphenyl)methyl cyclopentanecarboxylate (PubChem CID 175015138) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl cyclopentanecarboxylate
PubChem CID175015138
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(4-ethenylphenyl)methyl cyclopentanecarboxylate
SMILESC=Cc1ccc(COC(=O)C2CCCC2)cc1
InChIInChI=1S/C15H18O2/c1-2-12-7-9-13(10-8-12)11-17-15(16)14-5-3-4-6-14/h2,7-10,14H,1,3-6,11H2
InChIKeyZPEPDMWPHMLKEZ-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylamino)phenyl]methyl cyclohexanecarboxylate
CID 167208592
bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
benzyl 8-hydroxy-8-prop-2-enylcyclopentadecane-1-carboxylate
CID 118601136
(4-ethenylphenyl)methyl 6-amino-4-oxo-2,3-dihydro-1H-quinoline-2-carboxylate
CID 163896148
1-O'-[(4-ethenylphenyl)methyl] 1-O-methyl 2-methylcyclopropane-1,1-dicarboxylate
CID 118199261
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
bis[4-(prop-2-enoyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate
CID 134310367
prop-2-enyl cyclododecanecarboxylate
CID 139624721
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl cyclopentanecarboxylate?
The IUPAC name of (4-ethenylphenyl)methyl cyclopentanecarboxylate (CID 175015138) is (4-ethenylphenyl)methyl cyclopentanecarboxylate.
What is the SMILES notation for (4-ethenylphenyl)methyl cyclopentanecarboxylate?
The canonical SMILES for (4-ethenylphenyl)methyl cyclopentanecarboxylate is C=Cc1ccc(COC(=O)C2CCCC2)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl cyclopentanecarboxylate?
The InChIKey is ZPEPDMWPHMLKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-12-7-9-13(10-8-12)11-17-15(16)14-5-3-4-6-14/h2,7-10,14H,1,3-6,11H2.
What are the key properties of (4-ethenylphenyl)methyl cyclopentanecarboxylate?
(4-ethenylphenyl)methyl cyclopentanecarboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl cyclopentanecarboxylate is sourced from PubChem (CID 175015138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).