3,3-diphenylpropyl 3-oxopentanoate

C20H22O3 — CID 70118835

IUPAC3,3-diphenylpropyl 3-oxopentanoate
SMILESCCC(=O)CC(=O)OCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-2-18(21)15-20(22)23-14-13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,2,13-15H2,1H3
InChIKeyNESZBAYYFGUQSZ-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.12
Rot. Bonds8

About 3,3-diphenylpropyl 3-oxopentanoate

3,3-diphenylpropyl 3-oxopentanoate (PubChem CID 70118835) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3,3-diphenylpropyl 3-oxopentanoate.

Molecular Properties

Compound Name3,3-diphenylpropyl 3-oxopentanoate
PubChem CID70118835
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name3,3-diphenylpropyl 3-oxopentanoate
SMILESCCC(=O)CC(=O)OCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/c1-2-18(21)15-20(22)23-14-13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,2,13-15H2,1H3
InChIKeyNESZBAYYFGUQSZ-UHFFFAOYSA-N
XLogP4.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-diphenylpropylamino)ethyl propanoate
CID 163926617
3,3-diphenylpropyl 4-(2-cyclohexylethoxy)-3-oxobutanoate
CID 69063043
bis[3-(4-ethylphenyl)-3-phenylpropyl] carbonate
CID 67180371
3-O-benzyl 1-O-(4,4-diphenylbutyl) propanedioate
CID 175176228
[(3R)-3-(4-methoxyphenyl)-3-phenylpropyl] acetate
CID 101478548
methyl 5,5-diphenylpentanoate
CID 10923549
3-phenylbutyl pentanoate
CID 101292557
sodium (2R,3R)-4-(3,3-diphenylpropoxy)-2,3-dihydroxy-4-oxobutanoate
CID 164603858
3,3-diphenylpropyl 2,2-difluoro-2-sulfanylacetate
CID 87797111
(3,3-diphenylpropanoylamino) propanoate
CID 174383570
propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
2-[4-(2,2-diphenylethyl)piperazin-1-yl]ethyl 3-oxobutanoate
CID 13488733

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylpropyl 3-oxopentanoate?
The IUPAC name of 3,3-diphenylpropyl 3-oxopentanoate (CID 70118835) is 3,3-diphenylpropyl 3-oxopentanoate.
What is the SMILES notation for 3,3-diphenylpropyl 3-oxopentanoate?
The canonical SMILES for 3,3-diphenylpropyl 3-oxopentanoate is CCC(=O)CC(=O)OCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenylpropyl 3-oxopentanoate?
The InChIKey is NESZBAYYFGUQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-18(21)15-20(22)23-14-13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,19H,2,13-15H2,1H3.
What are the key properties of 3,3-diphenylpropyl 3-oxopentanoate?
3,3-diphenylpropyl 3-oxopentanoate has a molecular weight of 310.39 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylpropyl 3-oxopentanoate is sourced from PubChem (CID 70118835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).