5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol

C21H19NO4 — CID 54489893

IUPAC5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol
SMILESCOc1ccc(-c2c3c[nH]c(O)c3cc3ccc(OC)c(OC)c23)cc1
InChIInChI=1S/C21H19NO4/c1-24-14-7-4-12(5-8-14)18-16-11-22-21(23)15(16)10-13-6-9-17(25-2)20(26-3)19(13)18/h4-11,22-23H,1-3H3
InChIKeyXUYSEGCOOUMSIZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.72
Rot. Bonds4

About 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol

5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol (PubChem CID 54489893) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol.

Molecular Properties

Compound Name5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol
PubChem CID54489893
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol
SMILESCOc1ccc(-c2c3c[nH]c(O)c3cc3ccc(OC)c(OC)c23)cc1
InChIInChI=1S/C21H19NO4/c1-24-14-7-4-12(5-8-14)18-16-11-22-21(23)15(16)10-13-6-9-17(25-2)20(26-3)19(13)18/h4-11,22-23H,1-3H3
InChIKeyXUYSEGCOOUMSIZ-UHFFFAOYSA-N
XLogP4.72
TPSA63.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol
CID 135431975
4-[4-(3,4-Dihydroxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrol-3-yl]benzene-1,2-diol
CID 137635266
3-naphthalen-2-yl-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 162673848
6,7-Dimethoxy-4-[(6-methoxynaphthalen-2-yl)methyl]isoquinoline
CID 74539630
6,7-Dimethoxy-4-(naphthalen-2-ylmethyl)isoquinoline
CID 74539930
4-[8,9-Dimethoxy-1-(4-methoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol
CID 44817657
Isoquinoline, 4-benzyl-6,7-dimethoxy-, hydrobromide
CID 36266
Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, hydrobromide
CID 36268
Isoquinoline, 6,7-dimethoxy-4-(p-methoxybenzyl)-, hydrobromide
CID 43568
4-[1-[(3,4-Dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)pyrrol-3-yl]phenol
CID 137631900
4-[[3,4-Bis(3,4-dimethoxyphenyl)pyrrol-1-yl]methyl]benzene-1,2-diol
CID 137654613
4-[[3,4-Bis(3,4-dimethoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137656962

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol?
The IUPAC name of 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol (CID 54489893) is 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol.
What is the SMILES notation for 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol?
The canonical SMILES for 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol is COc1ccc(-c2c3c[nH]c(O)c3cc3ccc(OC)c(OC)c23)cc1.
What is the InChIKey of 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol?
The InChIKey is XUYSEGCOOUMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-24-14-7-4-12(5-8-14)18-16-11-22-21(23)15(16)10-13-6-9-17(25-2)20(26-3)19(13)18/h4-11,22-23H,1-3H3.
What are the key properties of 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol?
5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol has a molecular weight of 349.39 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol is sourced from PubChem (CID 54489893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).