6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol

C16H16BrNO — CID 10903230

IUPAC6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol
SMILESCc1ccc(N2Cc3cc(Br)c(O)c(C)c3C2)cc1
InChIInChI=1S/C16H16BrNO/c1-10-3-5-13(6-4-10)18-8-12-7-15(17)16(19)11(2)14(12)9-18/h3-7,19H,8-9H2,1-2H3
InChIKeyDGDQSNUINUIIEE-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.29
Rot. Bonds1

About 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol

6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol (PubChem CID 10903230) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol
PubChem CID10903230
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol
SMILESCc1ccc(N2Cc3cc(Br)c(O)c(C)c3C2)cc1
InChIInChI=1S/C16H16BrNO/c1-10-3-5-13(6-4-10)18-8-12-7-15(17)16(19)11(2)14(12)9-18/h3-7,19H,8-9H2,1-2H3
InChIKeyDGDQSNUINUIIEE-UHFFFAOYSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethyl-2-(4-methylphenyl)-1,3-dihydroisoindole
CID 10752373
2-(4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 24810857
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081
4-[1,3-bis(4-methylphenyl)imidazolidin-2-yl]-2-bromo-6-methoxyphenol
CID 3120490
1,2,4,5-tetrabromo-3,6-dimethylbenzene;1,4-xylene
CID 159795233
2-(3-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
CID 14989694
(3-bromo-4,5-dihydroxyphenyl)-(4-methylphenyl)methanone
CID 150034437
5,7-dimethyl-2-(4-methylphenyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 101460629
5-bromo-2-(4-methylphenyl)-3H-isoindol-1-one
CID 144618984
6,8-dibromo-3-(4-methylphenyl)-4H-1,3-benzoxazine-2-thione
CID 23251264
3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole
CID 102295960
sodium 2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoacetate
CID 23669413

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol?
The IUPAC name of 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol (CID 10903230) is 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol.
What is the SMILES notation for 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol?
The canonical SMILES for 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol is Cc1ccc(N2Cc3cc(Br)c(O)c(C)c3C2)cc1.
What is the InChIKey of 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol?
The InChIKey is DGDQSNUINUIIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-3-5-13(6-4-10)18-8-12-7-15(17)16(19)11(2)14(12)9-18/h3-7,19H,8-9H2,1-2H3.
What are the key properties of 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol?
6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol has a molecular weight of 318.21 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(4-methylphenyl)-1,3-dihydroisoindol-5-ol is sourced from PubChem (CID 10903230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).