(5,5-diphenylcyclopent-2-en-1-yl) acetate

C19H18O2 — CID 10016397

IUPAC(5,5-diphenylcyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-15(20)21-18-13-8-14-19(18,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-13,18H,14H2,1H3
InChIKeyUJONHJAUURZLCI-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.86
Rot. Bonds3

About (5,5-diphenylcyclopent-2-en-1-yl) acetate

(5,5-diphenylcyclopent-2-en-1-yl) acetate (PubChem CID 10016397) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (5,5-diphenylcyclopent-2-en-1-yl) acetate.

Molecular Properties

Compound Name(5,5-diphenylcyclopent-2-en-1-yl) acetate
PubChem CID10016397
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(5,5-diphenylcyclopent-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-15(20)21-18-13-8-14-19(18,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-13,18H,14H2,1H3
InChIKeyUJONHJAUURZLCI-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S)-2-hydroxy-2-phenylcycloheptyl] acetate
CID 164678101
methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
CID 67024439
(1-phenyl-7-oxabicyclo[4.1.0]heptan-2-yl) acetate
CID 11096465
(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate
CID 15584921
(1-phenylcyclopropyl) acetate
CID 121216912
(5-methyl-2-oxo-5-phenylcyclohex-3-en-1-yl) acetate
CID 13380302
[(2R,3S,4R)-1,2,3-trimethyl-4-phenylpiperidin-1-ium-4-yl] acetate
CID 7065841
[6-(hydroxymethyl)-5-oxo-6-phenyl-2H-pyran-2-yl] acetate
CID 86215227
bis[(1R)-2,2-diphenylcyclopentyl] oxalate
CID 102182330
[(1S,2R,3S,4S,6R,7S)-2,4-dimethyl-1,7-diphenyl-3-tricyclo[2.2.1.02,6]heptanyl] acetate
CID 10782813
[(1R,6R)-6-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate
CID 14806423
[(8Z)-6-acetyloxy-5,6,7,10,11,12-hexahydrobenzo[10]annulen-11-yl] acetate
CID 11449504

Frequently Asked Questions

What is the IUPAC name of (5,5-diphenylcyclopent-2-en-1-yl) acetate?
The IUPAC name of (5,5-diphenylcyclopent-2-en-1-yl) acetate (CID 10016397) is (5,5-diphenylcyclopent-2-en-1-yl) acetate.
What is the SMILES notation for (5,5-diphenylcyclopent-2-en-1-yl) acetate?
The canonical SMILES for (5,5-diphenylcyclopent-2-en-1-yl) acetate is CC(=O)OC1C=CCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (5,5-diphenylcyclopent-2-en-1-yl) acetate?
The InChIKey is UJONHJAUURZLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-15(20)21-18-13-8-14-19(18,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-13,18H,14H2,1H3.
What are the key properties of (5,5-diphenylcyclopent-2-en-1-yl) acetate?
(5,5-diphenylcyclopent-2-en-1-yl) acetate has a molecular weight of 278.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-diphenylcyclopent-2-en-1-yl) acetate is sourced from PubChem (CID 10016397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).