phenacyl 3-phenylcyclobutane-1-carboxylate

C19H18O3 — CID 86198036

IUPACphenacyl 3-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1CC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H18O3/c20-18(15-9-5-2-6-10-15)13-22-19(21)17-11-16(12-17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKeyUFPCZXGFNUNARA-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.61
Rot. Bonds5

About phenacyl 3-phenylcyclobutane-1-carboxylate

phenacyl 3-phenylcyclobutane-1-carboxylate (PubChem CID 86198036) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is phenacyl 3-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namephenacyl 3-phenylcyclobutane-1-carboxylate
PubChem CID86198036
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namephenacyl 3-phenylcyclobutane-1-carboxylate
SMILESO=C(COC(=O)C1CC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C19H18O3/c20-18(15-9-5-2-6-10-15)13-22-19(21)17-11-16(12-17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2
InChIKeyUFPCZXGFNUNARA-UHFFFAOYSA-N
XLogP3.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
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phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
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phenacyl 4-[(1S,2R,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]cyclohexane-1-carboxylate
CID 98183225
phenacyl cyclohex-2-ene-1-carboxylate
CID 2883093
phenacyl (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
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[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 126576809
phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 47004107
[2-(4-acetamidophenyl)-2-oxoethyl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 26213476
2-phenacyloxy-1-phenylethanone
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Frequently Asked Questions

What is the IUPAC name of phenacyl 3-phenylcyclobutane-1-carboxylate?
The IUPAC name of phenacyl 3-phenylcyclobutane-1-carboxylate (CID 86198036) is phenacyl 3-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for phenacyl 3-phenylcyclobutane-1-carboxylate?
The canonical SMILES for phenacyl 3-phenylcyclobutane-1-carboxylate is O=C(COC(=O)C1CC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of phenacyl 3-phenylcyclobutane-1-carboxylate?
The InChIKey is UFPCZXGFNUNARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-18(15-9-5-2-6-10-15)13-22-19(21)17-11-16(12-17)14-7-3-1-4-8-14/h1-10,16-17H,11-13H2.
What are the key properties of phenacyl 3-phenylcyclobutane-1-carboxylate?
phenacyl 3-phenylcyclobutane-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 86198036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).