1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone

C23H24O2 — CID 11393425

IUPAC1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(C)(C)C1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2/c1-16(24)22-17(2)25-23(3,4)21(22)15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,21H,1-4H3
InChIKeyKDESDAUIQVQZHB-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.41
Rot. Bonds4

About 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone

1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone (PubChem CID 11393425) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone
PubChem CID11393425
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(C)(C)C1C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24O2/c1-16(24)22-17(2)25-23(3,4)21(22)15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,21H,1-4H3
InChIKeyKDESDAUIQVQZHB-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone 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

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 57302576
3-(2,2-diphenylethenyl)-2,2-dimethylcyclopropane-1-carbaldehyde
CID 15357536
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
N-[(Z)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylethenyl]acetamide
CID 143243546
ethane;molecular hydrogen;1-phenylethanone
CID 143067772

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone (CID 11393425) is 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone is CC(=O)C1=C(C)OC(C)(C)C1C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
The InChIKey is KDESDAUIQVQZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2/c1-16(24)22-17(2)25-23(3,4)21(22)15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-15,21H,1-4H3.
What are the key properties of 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone?
1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone has a molecular weight of 332.44 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-diphenylethenyl)-2,2,5-trimethyl-3H-furan-4-yl]ethanone is sourced from PubChem (CID 11393425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).