6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole

C26H24O3 — CID 10134625

IUPAC6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole
SMILESCC1(C)Oc2ccc(C3Cc4cc5c(cc4C3)OCO5)cc2C1c1ccccc1
InChIInChI=1S/C26H24O3/c1-26(2)25(16-6-4-3-5-7-16)21-12-17(8-9-22(21)29-26)18-10-19-13-23-24(28-15-27-23)14-20(19)11-18/h3-9,12-14,18,25H,10-11,15H2,1-2H3
InChIKeyRAITURCSLVNXNJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.60
Rot. Bonds2

About 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole

6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole (PubChem CID 10134625) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole.

Molecular Properties

Compound Name6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole
PubChem CID10134625
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole
SMILESCC1(C)Oc2ccc(C3Cc4cc5c(cc4C3)OCO5)cc2C1c1ccccc1
InChIInChI=1S/C26H24O3/c1-26(2)25(16-6-4-3-5-7-16)21-12-17(8-9-22(21)29-26)18-10-19-13-23-24(28-15-27-23)14-20(19)11-18/h3-9,12-14,18,25H,10-11,15H2,1-2H3
InChIKeyRAITURCSLVNXNJ-UHFFFAOYSA-N
XLogP5.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole with MolForge

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Related Compounds

2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran
CID 23113833
4,4-dimethyl-5-oxatricyclo[4.4.0.03,9]deca-1(6),7,9-triene
CID 87177123
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
cis-(1R,3S)-3-(1,3-benzodioxol-5-yl)-2,2-dimethylcyclopropan-1-amine
CID 178199727
(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 69206313
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
(3S)-2,2-dimethyl-5-(2-phenylethyl)-3,4-dihydrochromene-3,7-diol
CID 163030346
(4R)-4-chloro-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene
CID 7055858
24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-12,23-diol
CID 3637402
(1S,12S,13S,23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-12,23-diol
CID 125180753
(5S)-3-(1,3-benzodioxol-5-ylmethylimino)-5-phenylcyclohexan-1-one
CID 6935787

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole?
The IUPAC name of 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole (CID 10134625) is 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole.
What is the SMILES notation for 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole?
The canonical SMILES for 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole is CC1(C)Oc2ccc(C3Cc4cc5c(cc4C3)OCO5)cc2C1c1ccccc1.
What is the InChIKey of 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole?
The InChIKey is RAITURCSLVNXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3/c1-26(2)25(16-6-4-3-5-7-16)21-12-17(8-9-22(21)29-26)18-10-19-13-23-24(28-15-27-23)14-20(19)11-18/h3-9,12-14,18,25H,10-11,15H2,1-2H3.
What are the key properties of 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole?
6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole has a molecular weight of 384.48 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethyl-3-phenyl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxole is sourced from PubChem (CID 10134625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).