3H-2-benzofuran-1-one;3-propyl-1H-indene

C20H20O2 — CID 175475170

IUPAC3H-2-benzofuran-1-one;3-propyl-1H-indene
SMILESCCCC1=CCc2ccccc21.O=C1OCc2ccccc21
InChIInChI=1S/C12H14.C8H6O2/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;9-8-7-4-2-1-3-6(7)5-10-8/h3-4,6-8H,2,5,9H2,1H3;1-4H,5H2
InChIKeyFLUPFDKIXXUCCI-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.78
Rot. Bonds2

About 3H-2-benzofuran-1-one;3-propyl-1H-indene

3H-2-benzofuran-1-one;3-propyl-1H-indene (PubChem CID 175475170) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3H-2-benzofuran-1-one;3-propyl-1H-indene.

Molecular Properties

Compound Name3H-2-benzofuran-1-one;3-propyl-1H-indene
PubChem CID175475170
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name3H-2-benzofuran-1-one;3-propyl-1H-indene
SMILESCCCC1=CCc2ccccc21.O=C1OCc2ccccc21
InChIInChI=1S/C12H14.C8H6O2/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;9-8-7-4-2-1-3-6(7)5-10-8/h3-4,6-8H,2,5,9H2,1H3;1-4H,5H2
InChIKeyFLUPFDKIXXUCCI-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3H-2-benzofuran-1-one;3-propyl-1H-indene 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

Benzyl Benzoate
CID 2345
Dibutyl Phthalate
CID 3026
Diethyl Phthalate
CID 6781
Butylphthalide
CID 61361
Dimethyl Phthalate
CID 8554
Diisobutyl phthalate
CID 6782
Phthalic Anhydride
CID 6811
di-N-Octyl Phthalate
CID 8346
Diisodecyl Phthalate
CID 33599
Dicyclohexyl phthalate
CID 6777
Butyl Benzyl Phthalate
CID 2347
Dipentyl phthalate
CID 8561

Frequently Asked Questions

What is the IUPAC name of 3H-2-benzofuran-1-one;3-propyl-1H-indene?
The IUPAC name of 3H-2-benzofuran-1-one;3-propyl-1H-indene (CID 175475170) is 3H-2-benzofuran-1-one;3-propyl-1H-indene.
What is the SMILES notation for 3H-2-benzofuran-1-one;3-propyl-1H-indene?
The canonical SMILES for 3H-2-benzofuran-1-one;3-propyl-1H-indene is CCCC1=CCc2ccccc21.O=C1OCc2ccccc21.
What is the InChIKey of 3H-2-benzofuran-1-one;3-propyl-1H-indene?
The InChIKey is FLUPFDKIXXUCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C8H6O2/c1-2-5-10-8-9-11-6-3-4-7-12(10)11;9-8-7-4-2-1-3-6(7)5-10-8/h3-4,6-8H,2,5,9H2,1H3;1-4H,5H2.
What are the key properties of 3H-2-benzofuran-1-one;3-propyl-1H-indene?
3H-2-benzofuran-1-one;3-propyl-1H-indene has a molecular weight of 292.38 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-2-benzofuran-1-one;3-propyl-1H-indene is sourced from PubChem (CID 175475170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).