10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol

C22H17NO5 — CID 54265756

IUPAC10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
SMILESCCn1cc2c(-c3ccc4c(c3)OCO4)c3c4c(ccc3cc2c1O)OCO4
InChIInChI=1S/C22H17NO5/c1-2-23-9-15-14(22(23)24)7-12-4-6-17-21(28-11-26-17)20(12)19(15)13-3-5-16-18(8-13)27-10-25-16/h3-9,24H,2,10-11H2,1H3
InChIKeyRGQCWDDORYFBRI-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.64
Rot. Bonds2

About 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol

10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol (PubChem CID 54265756) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol.

Molecular Properties

Compound Name10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
PubChem CID54265756
Molecular FormulaC22H17NO5
Molecular Weight375.38 g/mol
Exact Mass375.11
IUPAC Name10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
SMILESCCn1cc2c(-c3ccc4c(c3)OCO4)c3c4c(ccc3cc2c1O)OCO4
InChIInChI=1S/C22H17NO5/c1-2-23-9-15-14(22(23)24)7-12-4-6-17-21(28-11-26-17)20(12)19(15)13-3-5-16-18(8-13)27-10-25-16/h3-9,24H,2,10-11H2,1H3
InChIKeyRGQCWDDORYFBRI-UHFFFAOYSA-N
XLogP4.64
TPSA62.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

11-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-g]phthalazine-7,10-dione
CID 6320331
10-(1,3-benzodioxol-5-yl)-8-methyl-9H-[1,3]benzodioxolo[7,6-f]isoindol-7-one
CID 5273793
9-(1,3-benzodioxol-5-yl)benzo[g][1,3]benzodioxole-7,8-dicarboxylic acid
CID 5273805
4-[7,8-bis(hydroxymethyl)benzo[g][1,3]benzodioxol-9-yl]benzene-1,2-diol
CID 71584087
10-(1,3-benzodioxol-5-yl)-7,8-dihydro-[1,3]benzodioxolo[6,7-f]isoindol-9-one
CID 5273790
methyl 9-(1,3-benzodioxol-5-yl)-8-(methylsulfonyloxymethyl)benzo[g][1,3]benzodioxole-7-carboxylate
CID 18325108
dimethyl 9-(1,3-benzodioxol-5-yl)-6-hydroxybenzo[g][1,3]benzodioxole-7,8-dicarboxylate
CID 19353278
[8-(acetyloxymethyl)-9-(3,4-dihydroxyphenyl)benzo[g][1,3]benzodioxol-7-yl]methyl acetate
CID 71584088
10-(4-fluorophenyl)-8-hydroxy-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
CID 101402576
9-(1,3-benzodioxol-5-yl)-6-methylbenzo[g][1,3]benzodioxole-7,8-dicarboxylic acid
CID 70271057
[9-(4-fluorophenyl)-8-(hydroxymethyl)benzo[g][1,3]benzodioxol-7-yl]methanol
CID 19353365
[8-(acetyloxymethyl)-9-(4-hydroxy-3-methoxyphenyl)benzo[g][1,3]benzodioxol-7-yl]methyl acetate
CID 71583984

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The IUPAC name of 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol (CID 54265756) is 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol.
What is the SMILES notation for 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The canonical SMILES for 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol is CCn1cc2c(-c3ccc4c(c3)OCO4)c3c4c(ccc3cc2c1O)OCO4.
What is the InChIKey of 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
The InChIKey is RGQCWDDORYFBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-2-23-9-15-14(22(23)24)7-12-4-6-17-21(28-11-26-17)20(12)19(15)13-3-5-16-18(8-13)27-10-25-16/h3-9,24H,2,10-11H2,1H3.
What are the key properties of 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol?
10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol has a molecular weight of 375.38 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzodioxol-5-yl)-8-ethyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol is sourced from PubChem (CID 54265756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).