6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol

C20H20N2O2 — CID 90912330

IUPAC6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
SMILESCCCn1ccc2ccc(-n3cc4ccc(OC)cc4c3O)cc21
InChIInChI=1S/C20H20N2O2/c1-3-9-21-10-8-14-4-6-16(11-19(14)21)22-13-15-5-7-17(24-2)12-18(15)20(22)23/h4-8,10-13,23H,3,9H2,1-2H3
InChIKeyCJHYZYXCXBIKDY-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.71
Rot. Bonds4

About 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol

6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol (PubChem CID 90912330) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol.

Molecular Properties

Compound Name6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
PubChem CID90912330
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol
SMILESCCCn1ccc2ccc(-n3cc4ccc(OC)cc4c3O)cc21
InChIInChI=1S/C20H20N2O2/c1-3-9-21-10-8-14-4-6-16(11-19(14)21)22-13-15-5-7-17(24-2)12-18(15)20(22)23/h4-8,10-13,23H,3,9H2,1-2H3
InChIKeyCJHYZYXCXBIKDY-UHFFFAOYSA-N
XLogP4.71
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-1-propylindole
CID 91452134
2-(2,3-dihydro-1H-inden-5-yl)-6-methoxyisoindol-1-ol
CID 91235499
2-(1H-indazol-5-yl)-6-methoxyisoindol-1-ol
CID 91063844
6-methoxy-2-(4-methylquinolin-7-yl)isoindol-1-ol
CID 90806841
5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
CID 90702021
2-(1-benzothiophen-5-yl)-6-propoxyisoindol-1-ol
CID 91034080
6-methoxy-2-(1-propylindol-5-yl)-3H-isoindol-1-one
CID 42598216
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol
CID 91519522
2-(1-propan-2-ylindol-5-yl)-6-propylisoindol-1-ol
CID 90693809
6-(5-methoxyindol-1-yl)hexan-1-ol
CID 107707082
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol?
The IUPAC name of 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol (CID 90912330) is 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol.
What is the SMILES notation for 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol?
The canonical SMILES for 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol is CCCn1ccc2ccc(-n3cc4ccc(OC)cc4c3O)cc21.
What is the InChIKey of 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol?
The InChIKey is CJHYZYXCXBIKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-9-21-10-8-14-4-6-16(11-19(14)21)22-13-15-5-7-17(24-2)12-18(15)20(22)23/h4-8,10-13,23H,3,9H2,1-2H3.
What are the key properties of 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol?
6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol has a molecular weight of 320.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-propylindol-6-yl)isoindol-1-ol is sourced from PubChem (CID 90912330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).