(4-ethenylphenyl)methyl 5-phenylpentanoate

C20H22O2 — CID 102362530

IUPAC(4-ethenylphenyl)methyl 5-phenylpentanoate
SMILESC=Cc1ccc(COC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C20H22O2/c1-2-17-12-14-19(15-13-17)16-22-20(21)11-7-6-10-18-8-4-3-5-9-18/h2-5,8-9,12-15H,1,6-7,10-11,16H2
InChIKeyOCFCBZGLJJVTAZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.79
Rot. Bonds8

About (4-ethenylphenyl)methyl 5-phenylpentanoate

(4-ethenylphenyl)methyl 5-phenylpentanoate (PubChem CID 102362530) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 5-phenylpentanoate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 5-phenylpentanoate
PubChem CID102362530
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(4-ethenylphenyl)methyl 5-phenylpentanoate
SMILESC=Cc1ccc(COC(=O)CCCCc2ccccc2)cc1
InChIInChI=1S/C20H22O2/c1-2-17-12-14-19(15-13-17)16-22-20(21)11-7-6-10-18-8-4-3-5-9-18/h2-5,8-9,12-15H,1,6-7,10-11,16H2
InChIKeyOCFCBZGLJJVTAZ-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[(4-ethenylphenyl)methyl] hexanedioate
CID 23558427
benzyl 4-phenylbutanoate
CID 11961623
(4-ethenylphenyl)methyl 2-phenylacetate
CID 164760837
4-(4-oxo-4-phenylmethoxybutyl)benzoic acid
CID 101218136
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
benzyl 5-[4-(dimethoxyphosphorylmethyl)phenyl]pentanoate
CID 57030534
benzyl 5-hydroxypentanoate
CID 19788674
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
azane;benzyl 3-phenylpropanoate
CID 175136325
(2S)-2-amino-5-[(4-ethenylphenyl)methoxy]-5-oxopentanoic acid
CID 67951060
bis(3-phenylpropyl) hexanedioate
CID 59854363
benzyl heptadecanoate
CID 522569

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 5-phenylpentanoate?
The IUPAC name of (4-ethenylphenyl)methyl 5-phenylpentanoate (CID 102362530) is (4-ethenylphenyl)methyl 5-phenylpentanoate.
What is the SMILES notation for (4-ethenylphenyl)methyl 5-phenylpentanoate?
The canonical SMILES for (4-ethenylphenyl)methyl 5-phenylpentanoate is C=Cc1ccc(COC(=O)CCCCc2ccccc2)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 5-phenylpentanoate?
The InChIKey is OCFCBZGLJJVTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-17-12-14-19(15-13-17)16-22-20(21)11-7-6-10-18-8-4-3-5-9-18/h2-5,8-9,12-15H,1,6-7,10-11,16H2.
What are the key properties of (4-ethenylphenyl)methyl 5-phenylpentanoate?
(4-ethenylphenyl)methyl 5-phenylpentanoate has a molecular weight of 294.39 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 5-phenylpentanoate is sourced from PubChem (CID 102362530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).