4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole

C15H14BrNO — CID 144819173

IUPAC4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole
SMILESCOc1cccc(N2Cc3cccc(Br)c3C2)c1
InChIInChI=1S/C15H14BrNO/c1-18-13-6-3-5-12(8-13)17-9-11-4-2-7-15(16)14(11)10-17/h2-8H,9-10H2,1H3
InChIKeyDFMNKKNWTAIFDU-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.98
Rot. Bonds2

About 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole

4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole (PubChem CID 144819173) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole
PubChem CID144819173
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole
SMILESCOc1cccc(N2Cc3cccc(Br)c3C2)c1
InChIInChI=1S/C15H14BrNO/c1-18-13-6-3-5-12(8-13)17-9-11-4-2-7-15(16)14(11)10-17/h2-8H,9-10H2,1H3
InChIKeyDFMNKKNWTAIFDU-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-methoxyphenyl)azepane
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1-iodo-4-(3-methoxyphenyl)piperazine
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4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
N-methyl-2-(3-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 117006133
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4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
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CID 38573712

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole?
The IUPAC name of 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole (CID 144819173) is 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole is COc1cccc(N2Cc3cccc(Br)c3C2)c1.
What is the InChIKey of 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole?
The InChIKey is DFMNKKNWTAIFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-18-13-6-3-5-12(8-13)17-9-11-4-2-7-15(16)14(11)10-17/h2-8H,9-10H2,1H3.
What are the key properties of 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole?
4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole has a molecular weight of 304.19 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methoxyphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 144819173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).