3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one

C24H24O6 — CID 10597575

IUPAC3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
SMILESCOc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCC2)cc1
InChIInChI=1S/C24H24O6/c1-27-18-9-7-17(8-10-18)24(26)19(12-15-4-2-3-5-15)22(23(25)30-24)16-6-11-20-21(13-16)29-14-28-20/h6-11,13,15,26H,2-5,12,14H2,1H3
InChIKeyCTANMDRPZQDKDO-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.16
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one

3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one (PubChem CID 10597575) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
PubChem CID10597575
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
SMILESCOc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCC2)cc1
InChIInChI=1S/C24H24O6/c1-27-18-9-7-17(8-10-18)24(26)19(12-15-4-2-3-5-15)22(23(25)30-24)16-6-11-20-21(13-16)29-14-28-20/h6-11,13,15,26H,2-5,12,14H2,1H3
InChIKeyCTANMDRPZQDKDO-UHFFFAOYSA-N
XLogP4.16
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one 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

1,3-Benzodioxole-5-carboxylic acid
CID 7196
Hinokinin
CID 442879
Yatein
CID 442835
Derrusnin
CID 1715307
Peperomin E
CID 10476763
PD-155080
CID 11742628
Propyl isome
CID 6750
4-Benzyloxy-3-methoxyphenylacetic Acid
CID 297964
Methyl piperonylate
CID 67590
(-)-Pluviatolide
CID 168759
2-Benzo[1,3]Dioxol-5-Ylmethyl-3-Benzyl-Succinic Acid
CID 5496627
2,3-Bis-Benzo(1,3)Dioxol-5-Ylmethyl-Succinic Acid
CID 5496628

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one (CID 10597575) is 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one is COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCC2)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one?
The InChIKey is CTANMDRPZQDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-27-18-9-7-17(8-10-18)24(26)19(12-15-4-2-3-5-15)22(23(25)30-24)16-6-11-20-21(13-16)29-14-28-20/h6-11,13,15,26H,2-5,12,14H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one?
3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one has a molecular weight of 408.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-4-(cyclopentylmethyl)-5-hydroxy-5-(4-methoxyphenyl)furan-2-one is sourced from PubChem (CID 10597575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).