2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol

C18H15BrN2O2 — CID 91247290

IUPAC2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4c(c3)c(Br)cn4C)c(O)c2c1
InChIInChI=1S/C18H15BrN2O2/c1-20-10-16(19)15-7-12(4-6-17(15)20)21-9-11-3-5-13(23-2)8-14(11)18(21)22/h3-10,22H,1-2H3
InChIKeyOGFSAUAPJWFQRP-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.60
Rot. Bonds2

About 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol

2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol (PubChem CID 91247290) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol.

Molecular Properties

Compound Name2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol
PubChem CID91247290
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4c(c3)c(Br)cn4C)c(O)c2c1
InChIInChI=1S/C18H15BrN2O2/c1-20-10-16(19)15-7-12(4-6-17(15)20)21-9-11-3-5-13(23-2)8-14(11)18(21)22/h3-10,22H,1-2H3
InChIKeyOGFSAUAPJWFQRP-UHFFFAOYSA-N
XLogP4.60
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-3-[(5-methoxy-1-methyl-indol-3-yl)methyl]-1-methyl-indole
CID 44441479
(1R,2S)-1-(7-bromo-3-methoxynaphthalen-2-yl)-4-(dimethylamino)-2-(1-methylindol-4-yl)-1-phenylbutan-2-ol
CID 145989723
(2R)-1-(6-bromoindol-1-yl)-3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 177371309
4-Bromo-1-(4-methoxybenzyl)-1h-indole
CID 116626088
6-(Difluoromethoxy)-2-quinolin-6-ylisoindol-1-ol
CID 90905287
2-[1-(Difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol
CID 90919463
6-(Difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol
CID 90930092
5-Fluoro-6-methoxy-2-(1-methylindol-5-yl)isoindol-1-ol
CID 91062272
6-[Bromo(difluoro)methoxy]-2-(1-methylindol-5-yl)isoindol-1-ol
CID 91097597
6-(Difluoromethoxy)-2-(1-methylindol-5-yl)isoindol-1-ol
CID 91112823
2-(1-Methylindol-5-yl)-6-(2,2,2-trifluoroethoxy)isoindol-1-ol
CID 91114140
6-(difluoromethoxy)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)isoindol-1-ol
CID 91209816

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol?
The IUPAC name of 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol (CID 91247290) is 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol.
What is the SMILES notation for 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol?
The canonical SMILES for 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol is COc1ccc2cn(-c3ccc4c(c3)c(Br)cn4C)c(O)c2c1.
What is the InChIKey of 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol?
The InChIKey is OGFSAUAPJWFQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-20-10-16(19)15-7-12(4-6-17(15)20)21-9-11-3-5-13(23-2)8-14(11)18(21)22/h3-10,22H,1-2H3.
What are the key properties of 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol?
2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol has a molecular weight of 371.23 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindol-5-yl)-6-methoxyisoindol-1-ol is sourced from PubChem (CID 91247290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).