2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol

C15H15NO — CID 84735697

IUPAC2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
SMILESCc1cccc2c1CNC2c1ccccc1O
InChIInChI=1S/C15H15NO/c1-10-5-4-7-11-13(10)9-16-15(11)12-6-2-3-8-14(12)17/h2-8,15-17H,9H2,1H3
InChIKeyKLXQRAWCJIVBKX-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.89
Rot. Bonds1

About 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol

2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol (PubChem CID 84735697) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol.

Molecular Properties

Compound Name2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
PubChem CID84735697
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
SMILESCc1cccc2c1CNC2c1ccccc1O
InChIInChI=1S/C15H15NO/c1-10-5-4-7-11-13(10)9-16-15(11)12-6-2-3-8-14(12)17/h2-8,15-17H,9H2,1H3
InChIKeyKLXQRAWCJIVBKX-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(7-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735718
1-phenyl-2,3-dihydro-1H-isoindol-4-ol
CID 84734564
1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
CID 84735897
5-methyl-1-(2-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84735501
2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737389
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
4-ethyl-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 115063778
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 107514282
3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
CID 83970453
2-(azetidin-2-yl)phenol
CID 55282316
2-(2-methylphenyl)piperidin-3-ol
CID 82403237
cyclohexane;2-methylphenol
CID 70504255

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol?
The IUPAC name of 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol (CID 84735697) is 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol.
What is the SMILES notation for 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol?
The canonical SMILES for 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol is Cc1cccc2c1CNC2c1ccccc1O.
What is the InChIKey of 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol?
The InChIKey is KLXQRAWCJIVBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-5-4-7-11-13(10)9-16-15(11)12-6-2-3-8-14(12)17/h2-8,15-17H,9H2,1H3.
What are the key properties of 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol?
2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol has a molecular weight of 225.29 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol is sourced from PubChem (CID 84735697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).