methyl 2-(2-phenylethenyl)pentanoate

C14H18O2 — CID 174248915

IUPACmethyl 2-(2-phenylethenyl)pentanoate
SMILESCCCC(C=Cc1ccccc1)C(=O)OC
InChIInChI=1S/C14H18O2/c1-3-7-13(14(15)16-2)11-10-12-8-5-4-6-9-12/h4-6,8-11,13H,3,7H2,1-2H3
InChIKeyQEVWMIPRJRARRV-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds5

About methyl 2-(2-phenylethenyl)pentanoate

methyl 2-(2-phenylethenyl)pentanoate (PubChem CID 174248915) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 2-(2-phenylethenyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylethenyl)pentanoate
PubChem CID174248915
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 2-(2-phenylethenyl)pentanoate
SMILESCCCC(C=Cc1ccccc1)C(=O)OC
InChIInChI=1S/C14H18O2/c1-3-7-13(14(15)16-2)11-10-12-8-5-4-6-9-12/h4-6,8-11,13H,3,7H2,1-2H3
InChIKeyQEVWMIPRJRARRV-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
methyl (Z)-2-benzyl-4-phenylbut-3-enoate
CID 102009191
methyl (E,2S)-2-(2-methoxyethoxymethyl)-4-phenylbut-3-enoate
CID 135058828
ethyl (Z)-2-hydroxy-4-phenylbut-3-enoate
CID 102348217
CID 91112579
CID 91112579
2-methylidene-3-(2-phenylethenyl)heptanoic acid
CID 54501886
methyl (E,2R,3S)-2-acetamido-3-ethyl-5-phenylpent-4-enoate
CID 15408383
methyl (E)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 11107258
methyl (E)-2-diethoxyphosphoryloxy-4-phenylbut-3-enoate
CID 177460867
methyl 2-(3-phenylprop-2-enoylamino)hexanoate
CID 78410683
methyl (2S)-3-phenyl-2-[[(E,3R)-1-phenylpent-1-en-3-yl]amino]propanoate
CID 134848197
diethyl 2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 11002654

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylethenyl)pentanoate?
The IUPAC name of methyl 2-(2-phenylethenyl)pentanoate (CID 174248915) is methyl 2-(2-phenylethenyl)pentanoate.
What is the SMILES notation for methyl 2-(2-phenylethenyl)pentanoate?
The canonical SMILES for methyl 2-(2-phenylethenyl)pentanoate is CCCC(C=Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(2-phenylethenyl)pentanoate?
The InChIKey is QEVWMIPRJRARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-7-13(14(15)16-2)11-10-12-8-5-4-6-9-12/h4-6,8-11,13H,3,7H2,1-2H3.
What are the key properties of methyl 2-(2-phenylethenyl)pentanoate?
methyl 2-(2-phenylethenyl)pentanoate has a molecular weight of 218.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylethenyl)pentanoate is sourced from PubChem (CID 174248915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).