(3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate

C23H26O3 — CID 56991904

IUPAC(3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate
SMILESCCC1(C(=O)OCC(C(=O)CCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26O3/c1-2-23(15-16-23)22(25)26-17-20(19-11-7-4-8-12-19)21(24)14-13-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3
InChIKeyGZAIJXMVXCNHRM-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.71
Rot. Bonds9

About (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate

(3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate (PubChem CID 56991904) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate
PubChem CID56991904
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name(3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate
SMILESCCC1(C(=O)OCC(C(=O)CCc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H26O3/c1-2-23(15-16-23)22(25)26-17-20(19-11-7-4-8-12-19)21(24)14-13-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3
InChIKeyGZAIJXMVXCNHRM-UHFFFAOYSA-N
XLogP4.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-oxo-2,7-diphenylheptanoate
CID 177492008
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
1-methoxy-2-phenylhexan-3-one
CID 103466352
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
4-bromo-1-phenylpentan-3-one
CID 121216753
4-ethyl-1-phenylhexan-3-one
CID 71072308
[hydroxy(phenyl)methyl] 1-ethylcyclopentane-1-carboxylate
CID 70129621
1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one
CID 116601238
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
4-methoxy-1-phenylheptan-3-one
CID 116708295
3,3-bis(methoxycarbonyl)-6-oxo-5,8-diphenyloctanoic acid
CID 166437376

Frequently Asked Questions

What is the IUPAC name of (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate?
The IUPAC name of (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate (CID 56991904) is (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate.
What is the SMILES notation for (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate?
The canonical SMILES for (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate is CCC1(C(=O)OCC(C(=O)CCc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate?
The InChIKey is GZAIJXMVXCNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c1-2-23(15-16-23)22(25)26-17-20(19-11-7-4-8-12-19)21(24)14-13-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3.
What are the key properties of (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate?
(3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2,5-diphenylpentyl) 1-ethylcyclopropane-1-carboxylate is sourced from PubChem (CID 56991904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).