ethyl 4-phenoxy-4-phenylbutanoate

C18H20O3 — CID 151980337

IUPACethyl 4-phenoxy-4-phenylbutanoate
SMILESCCOC(=O)CCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)21-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyUCNQUJHOYMLMKD-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.15
Rot. Bonds7

About ethyl 4-phenoxy-4-phenylbutanoate

ethyl 4-phenoxy-4-phenylbutanoate (PubChem CID 151980337) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 4-phenoxy-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl 4-phenoxy-4-phenylbutanoate
PubChem CID151980337
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Nameethyl 4-phenoxy-4-phenylbutanoate
SMILESCCOC(=O)CCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)21-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyUCNQUJHOYMLMKD-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
CID 22225835
ethyl 4-phenyl-4-phosphorosobutanoate
CID 174776094
ethyl 4-(2-acetyl-5-phenylmethoxyphenoxy)-4-phenylbutanoate
CID 23204307
ethyl 4-methyl-6-phenylheptanoate
CID 158915322
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
(3S)-3-phenoxy-3-phenylpropan-1-amine
CID 11736303
diethyl 2-phenoxybutanedioate
CID 72766015
ethyl 2-[methyl-(3-naphthalen-2-yloxy-3-phenylpropyl)amino]acetate
CID 21019935
ethyl 2-[[3-(4-methylphenoxy)-3-phenylpropyl]-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetate
CID 59941162
1-methyl-4-(1-phenylbutoxy)benzene
CID 59718095
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenoxy-4-phenylbutanoate?
The IUPAC name of ethyl 4-phenoxy-4-phenylbutanoate (CID 151980337) is ethyl 4-phenoxy-4-phenylbutanoate.
What is the SMILES notation for ethyl 4-phenoxy-4-phenylbutanoate?
The canonical SMILES for ethyl 4-phenoxy-4-phenylbutanoate is CCOC(=O)CCC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 4-phenoxy-4-phenylbutanoate?
The InChIKey is UCNQUJHOYMLMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-20-18(19)14-13-17(15-9-5-3-6-10-15)21-16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3.
What are the key properties of ethyl 4-phenoxy-4-phenylbutanoate?
ethyl 4-phenoxy-4-phenylbutanoate has a molecular weight of 284.36 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenoxy-4-phenylbutanoate is sourced from PubChem (CID 151980337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).