6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole

C29H22O5 — CID 10049428

IUPAC6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole
SMILESc1ccc(COc2ccc(-c3cc4cc5c(cc4o3)OCO5)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C29H22O5/c1-3-7-20(8-4-1)17-30-23-11-12-24(26(15-23)31-18-21-9-5-2-6-10-21)27-13-22-14-28-29(33-19-32-28)16-25(22)34-27/h1-16H,17-19H2
InChIKeyHKAGAWYBQMRSFF-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.99
Rot. Bonds7

About 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole

6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole (PubChem CID 10049428) has the molecular formula C29H22O5 and a molecular weight of 450.49 g/mol. Its IUPAC name is 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole.

Molecular Properties

Compound Name6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole
PubChem CID10049428
Molecular FormulaC29H22O5
Molecular Weight450.49 g/mol
Exact Mass450.15
IUPAC Name6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole
SMILESc1ccc(COc2ccc(-c3cc4cc5c(cc4o3)OCO5)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C29H22O5/c1-3-7-20(8-4-1)17-30-23-11-12-24(26(15-23)31-18-21-9-5-2-6-10-21)27-13-22-14-28-29(33-19-32-28)16-25(22)34-27/h1-16H,17-19H2
InChIKeyHKAGAWYBQMRSFF-UHFFFAOYSA-N
XLogP6.99
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole 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-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707
7-phenylmethoxy-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)-2H-chromene
CID 11005099
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17291782
4-phenylmethoxy-1,3-benzodioxole
CID 14180566
2-[2,4-bis(phenylmethoxy)phenyl]-5,8-bis(phenylmethoxy)thiochromen-4-one
CID 10818127
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
1-[3-[2,4-bis(phenylmethoxy)phenyl]propyl]-2-ethoxy-4-phenylmethoxybenzene
CID 139826646
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495

Frequently Asked Questions

What is the IUPAC name of 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole?
The IUPAC name of 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole (CID 10049428) is 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole.
What is the SMILES notation for 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole?
The canonical SMILES for 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole is c1ccc(COc2ccc(-c3cc4cc5c(cc4o3)OCO5)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole?
The InChIKey is HKAGAWYBQMRSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O5/c1-3-7-20(8-4-1)17-30-23-11-12-24(26(15-23)31-18-21-9-5-2-6-10-21)27-13-22-14-28-29(33-19-32-28)16-25(22)34-27/h1-16H,17-19H2.
What are the key properties of 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole?
6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole has a molecular weight of 450.49 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,4-bis(phenylmethoxy)phenyl]furo[2,3-f][1,3]benzodioxole is sourced from PubChem (CID 10049428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).