2-(3-phenoxypropyl)isoindole

C17H17NO — CID 23727767

IUPAC2-(3-phenoxypropyl)isoindole
SMILESc1ccc(OCCCn2cc3ccccc3c2)cc1
InChIInChI=1S/C17H17NO/c1-2-9-17(10-3-1)19-12-6-11-18-13-15-7-4-5-8-16(15)14-18/h1-5,7-10,13-14H,6,11-12H2
InChIKeyYNQJPGRJTAMIAI-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.11
Rot. Bonds5

About 2-(3-phenoxypropyl)isoindole

2-(3-phenoxypropyl)isoindole (PubChem CID 23727767) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-phenoxypropyl)isoindole.

Molecular Properties

Compound Name2-(3-phenoxypropyl)isoindole
PubChem CID23727767
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name2-(3-phenoxypropyl)isoindole
SMILESc1ccc(OCCCn2cc3ccccc3c2)cc1
InChIInChI=1S/C17H17NO/c1-2-9-17(10-3-1)19-12-6-11-18-13-15-7-4-5-8-16(15)14-18/h1-5,7-10,13-14H,6,11-12H2
InChIKeyYNQJPGRJTAMIAI-UHFFFAOYSA-N
XLogP4.11
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-1-(3-phenoxypropyl)imidazole
CID 106720865
2-(3-phenoxypropyl)-4,5,6,7-tetrahydroisoindol-4-ol
CID 83209106
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-(3-phenoxypropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
CID 83211529
2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106720444
4,5,6,7-tetrachloro-2-(3-phenoxypropyl)-1,3-dihydroisoindole
CID 23727804
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
1-(3-phenoxypropyl)pyrazole
CID 55028379
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
2-phenoxyethylmercury
CID 163598363
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
cyclopropyl-[1-(3-phenoxypropyl)pyrrol-3-yl]methanone
CID 79097089

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropyl)isoindole?
The IUPAC name of 2-(3-phenoxypropyl)isoindole (CID 23727767) is 2-(3-phenoxypropyl)isoindole.
What is the SMILES notation for 2-(3-phenoxypropyl)isoindole?
The canonical SMILES for 2-(3-phenoxypropyl)isoindole is c1ccc(OCCCn2cc3ccccc3c2)cc1.
What is the InChIKey of 2-(3-phenoxypropyl)isoindole?
The InChIKey is YNQJPGRJTAMIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-9-17(10-3-1)19-12-6-11-18-13-15-7-4-5-8-16(15)14-18/h1-5,7-10,13-14H,6,11-12H2.
What are the key properties of 2-(3-phenoxypropyl)isoindole?
2-(3-phenoxypropyl)isoindole has a molecular weight of 251.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropyl)isoindole is sourced from PubChem (CID 23727767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).