10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole

C27H22O5 — CID 46231592

IUPAC10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole
SMILESCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)COC3)cc1OCc1ccccc1
InChIInChI=1S/C27H22O5/c1-28-22-9-7-19(12-24(22)30-13-17-5-3-2-4-6-17)25-21-15-29-14-20(21)11-18-8-10-23-27(26(18)25)32-16-31-23/h2-12H,13-16H2,1H3
InChIKeyUAPMSRIDXPVOIU-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.85
Rot. Bonds5

About 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole

10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole (PubChem CID 46231592) has the molecular formula C27H22O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole.

Molecular Properties

Compound Name10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole
PubChem CID46231592
Molecular FormulaC27H22O5
Molecular Weight426.47 g/mol
Exact Mass426.15
IUPAC Name10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole
SMILESCOc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)COC3)cc1OCc1ccccc1
InChIInChI=1S/C27H22O5/c1-28-22-9-7-19(12-24(22)30-13-17-5-3-2-4-6-17)25-21-15-29-14-20(21)11-18-8-10-23-27(26(18)25)32-16-31-23/h2-12H,13-16H2,1H3
InChIKeyUAPMSRIDXPVOIU-UHFFFAOYSA-N
XLogP5.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole?
The IUPAC name of 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole (CID 46231592) is 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole.
What is the SMILES notation for 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole?
The canonical SMILES for 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole is COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)COC3)cc1OCc1ccccc1.
What is the InChIKey of 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole?
The InChIKey is UAPMSRIDXPVOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O5/c1-28-22-9-7-19(12-24(22)30-13-17-5-3-2-4-6-17)25-21-15-29-14-20(21)11-18-8-10-23-27(26(18)25)32-16-31-23/h2-12H,13-16H2,1H3.
What are the key properties of 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole?
10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole has a molecular weight of 426.47 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxy-3-phenylmethoxyphenyl)-7,9-dihydro-[2]benzofuro[5,6-g][1,3]benzodioxole is sourced from PubChem (CID 46231592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).