ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate

C19H26O3 — CID 15864406

IUPACethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate
SMILESCCOC(=O)CC1OC(C)(c2ccccc2)C(CC)=C1CC
InChIInChI=1S/C19H26O3/c1-5-15-16(6-2)19(4,14-11-9-8-10-12-14)22-17(15)13-18(20)21-7-3/h8-12,17H,5-7,13H2,1-4H3
InChIKeyLKYCXXOTHMFDHU-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.37
Rot. Bonds6

About ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate

ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate (PubChem CID 15864406) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate
PubChem CID15864406
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Nameethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate
SMILESCCOC(=O)CC1OC(C)(c2ccccc2)C(CC)=C1CC
InChIInChI=1S/C19H26O3/c1-5-15-16(6-2)19(4,14-11-9-8-10-12-14)22-17(15)13-18(20)21-7-3/h8-12,17H,5-7,13H2,1-4H3
InChIKeyLKYCXXOTHMFDHU-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-[(1R,2S)-1-oxo-1-phenyl-2,5-dihydro-1λ5-phosphol-2-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate?
The IUPAC name of ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate (CID 15864406) is ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate?
The canonical SMILES for ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate is CCOC(=O)CC1OC(C)(c2ccccc2)C(CC)=C1CC.
What is the InChIKey of ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate?
The InChIKey is LKYCXXOTHMFDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3/c1-5-15-16(6-2)19(4,14-11-9-8-10-12-14)22-17(15)13-18(20)21-7-3/h8-12,17H,5-7,13H2,1-4H3.
What are the key properties of ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate?
ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate has a molecular weight of 302.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate is sourced from PubChem (CID 15864406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).