ethyl 5-(3-phenylphenyl)pentanoate

C19H22O2 — CID 146915917

IUPACethyl 5-(3-phenylphenyl)pentanoate
SMILESCCOC(=O)CCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-2-21-19(20)14-7-6-9-16-10-8-13-18(15-16)17-11-4-3-5-12-17/h3-5,8,10-13,15H,2,6-7,9,14H2,1H3
InChIKeyACFJNLAJZYXBRI-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.63
Rot. Bonds7

About ethyl 5-(3-phenylphenyl)pentanoate

ethyl 5-(3-phenylphenyl)pentanoate (PubChem CID 146915917) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 5-(3-phenylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(3-phenylphenyl)pentanoate
PubChem CID146915917
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Nameethyl 5-(3-phenylphenyl)pentanoate
SMILESCCOC(=O)CCCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-2-21-19(20)14-7-6-9-16-10-8-13-18(15-16)17-11-4-3-5-12-17/h3-5,8,10-13,15H,2,6-7,9,14H2,1H3
InChIKeyACFJNLAJZYXBRI-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.63
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 4-[3-(4-ethoxy-4-oxobutyl)phenyl]butanoate
CID 86073242
ethyl 5-(3-aminophenyl)pentanoate
CID 11775691
ethyl 5-[3-(chloromethyl)phenyl]pentanoate
CID 129315336
ethyl 6-(3-sulfanylphenyl)hexanoate
CID 163434844
ethyl 5-[3-(2-amino-2-oxoethyl)phenyl]pentanoate
CID 170976296
ethyl 6-(3-methanethioylphenyl)hexanoate
CID 143474698
ethyl 5-(2-fluoro-4-phenylphenyl)pentanoate
CID 160730558
ethyl 4-(3-aminophenyl)butanoate
CID 66895353
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 5-(4-phenoxyphenyl)pentanoate
CID 10494313
ethoxycarbonyl 5-phenylpentanoate
CID 174404488
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate
CID 23074340

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-phenylphenyl)pentanoate?
The IUPAC name of ethyl 5-(3-phenylphenyl)pentanoate (CID 146915917) is ethyl 5-(3-phenylphenyl)pentanoate.
What is the SMILES notation for ethyl 5-(3-phenylphenyl)pentanoate?
The canonical SMILES for ethyl 5-(3-phenylphenyl)pentanoate is CCOC(=O)CCCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of ethyl 5-(3-phenylphenyl)pentanoate?
The InChIKey is ACFJNLAJZYXBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-21-19(20)14-7-6-9-16-10-8-13-18(15-16)17-11-4-3-5-12-17/h3-5,8,10-13,15H,2,6-7,9,14H2,1H3.
What are the key properties of ethyl 5-(3-phenylphenyl)pentanoate?
ethyl 5-(3-phenylphenyl)pentanoate has a molecular weight of 282.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-phenylphenyl)pentanoate is sourced from PubChem (CID 146915917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).