ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate

C19H21FO2 — CID 160730558

IUPACethyl 5-(2-fluoro-4-phenylphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H21FO2/c1-2-22-19(21)11-7-6-10-16-12-13-17(14-18(16)20)15-8-4-3-5-9-15/h3-5,8-9,12-14H,2,6-7,10-11H2,1H3
InChIKeyRUGYAWGSMXTWEI-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.77
Rot. Bonds7

About ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate

ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate (PubChem CID 160730558) has the molecular formula C19H21FO2 and a molecular weight of 300.37 g/mol. Its IUPAC name is ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(2-fluoro-4-phenylphenyl)pentanoate
PubChem CID160730558
Molecular FormulaC19H21FO2
Molecular Weight300.37 g/mol
Exact Mass300.15
IUPAC Nameethyl 5-(2-fluoro-4-phenylphenyl)pentanoate
SMILESCCOC(=O)CCCCc1ccc(-c2ccccc2)cc1F
InChIInChI=1S/C19H21FO2/c1-2-22-19(21)11-7-6-10-16-12-13-17(14-18(16)20)15-8-4-3-5-9-15/h3-5,8-9,12-14H,2,6-7,10-11H2,1H3
InChIKeyRUGYAWGSMXTWEI-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.77
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

ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
ethyl 4-(2-phenylphenyl)butanoate
CID 67832505
ethyl 5-(2,3,4-trifluorophenyl)pentanoate
CID 67632318
ethyl 11-(4-ethyl-6-phenylpyridazin-3-yl)undecanoate
CID 11474967
ethyl 5-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentanoate
CID 140821330
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
amino 4-(2-hydroxy-4-phenylphenyl)butanoate
CID 174505163
ethyl 17-(2-aminophenyl)heptadecanoate
CID 21163280
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
ethyl 5-[4-[3-fluoro-4-(4-hexylphenyl)phenyl]phenoxy]pentanoate
CID 101062327
ethyl 5-(2-ethoxyphenyl)pentanoate
CID 118039876
1-[4-[4-(3-fluoro-4-pentylphenyl)phenyl]phenyl]pentan-1-one
CID 142331681

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate?
The IUPAC name of ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate (CID 160730558) is ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate.
What is the SMILES notation for ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate?
The canonical SMILES for ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate is CCOC(=O)CCCCc1ccc(-c2ccccc2)cc1F.
What is the InChIKey of ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate?
The InChIKey is RUGYAWGSMXTWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2/c1-2-22-19(21)11-7-6-10-16-12-13-17(14-18(16)20)15-8-4-3-5-9-15/h3-5,8-9,12-14H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate?
ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate has a molecular weight of 300.37 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate is sourced from PubChem (CID 160730558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).