(2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate

C26H30O2 — CID 59052837

IUPAC(2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate
SMILESCCC1=C(CC)C(CC)(c2ccccc2)C(OC(=O)c2ccccc2)=C1CC
InChIInChI=1S/C26H30O2/c1-5-21-22(6-2)24(28-25(27)19-15-11-9-12-16-19)26(8-4,23(21)7-3)20-17-13-10-14-18-20/h9-18H,5-8H2,1-4H3
InChIKeyFWHCDEAAEATFLX-UHFFFAOYSA-N
MW374.52 g/mol
LogP6.99
Rot. Bonds7

About (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate

(2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate (PubChem CID 59052837) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate.

Molecular Properties

Compound Name(2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate
PubChem CID59052837
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name(2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate
SMILESCCC1=C(CC)C(CC)(c2ccccc2)C(OC(=O)c2ccccc2)=C1CC
InChIInChI=1S/C26H30O2/c1-5-21-22(6-2)24(28-25(27)19-15-11-9-12-16-19)26(8-4,23(21)7-3)20-17-13-10-14-18-20/h9-18H,5-8H2,1-4H3
InChIKeyFWHCDEAAEATFLX-UHFFFAOYSA-N
XLogP6.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,4,5-tetraethyl-1-phenylcyclopenta-2,4-dien-1-yl)acetaldehyde
CID 101196457
[(2S)-5-ethyl-3,3-dimethyl-6-oxo-2-phenyl-2H-pyran-4-yl] benzoate
CID 1038866
(111C)butyl benzoate
CID 11994383
(4-ethyl-5-methoxycarbonyloxy-2,6-dimethyl-4-phenyl-1H-pyridin-3-yl) methyl carbonate
CID 70581032
butyl benzoate;dihydrochloride
CID 141031125
butyl benzoate;methane
CID 174523775
benzenecarboperoxoic acid;propane
CID 87106834
(tetraethyl-λ5-phosphanyl) benzoate
CID 66884387
methanol;pentyl benzoate
CID 175222419
hexyl benzoate
CID 23235
2-ethyl-2-phenyl-1,3-dioxolane;methyl benzoate
CID 143933613
(4-benzoyloxy-4,6-diethyl-3-methylcyclohexa-1,5-dien-1-yl) benzoate
CID 151283666

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate?
The IUPAC name of (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate (CID 59052837) is (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate.
What is the SMILES notation for (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate?
The canonical SMILES for (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate is CCC1=C(CC)C(CC)(c2ccccc2)C(OC(=O)c2ccccc2)=C1CC.
What is the InChIKey of (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate?
The InChIKey is FWHCDEAAEATFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-5-21-22(6-2)24(28-25(27)19-15-11-9-12-16-19)26(8-4,23(21)7-3)20-17-13-10-14-18-20/h9-18H,5-8H2,1-4H3.
What are the key properties of (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate?
(2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate has a molecular weight of 374.52 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetraethyl-5-phenylcyclopenta-1,3-dien-1-yl) benzoate is sourced from PubChem (CID 59052837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).