1-phenyl-2,3-dihydro-1H-isoindol-4-ol

C14H13NO — CID 84734564

IUPAC1-phenyl-2,3-dihydro-1H-isoindol-4-ol
SMILESOc1cccc2c1CNC2c1ccccc1
InChIInChI=1S/C14H13NO/c16-13-8-4-7-11-12(13)9-15-14(11)10-5-2-1-3-6-10/h1-8,14-16H,9H2
InChIKeyUXMBMKABUOTHHL-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.58
Rot. Bonds1

About 1-phenyl-2,3-dihydro-1H-isoindol-4-ol

1-phenyl-2,3-dihydro-1H-isoindol-4-ol (PubChem CID 84734564) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-phenyl-2,3-dihydro-1H-isoindol-4-ol.

Molecular Properties

Compound Name1-phenyl-2,3-dihydro-1H-isoindol-4-ol
PubChem CID84734564
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-phenyl-2,3-dihydro-1H-isoindol-4-ol
SMILESOc1cccc2c1CNC2c1ccccc1
InChIInChI=1S/C14H13NO/c16-13-8-4-7-11-12(13)9-15-14(11)10-5-2-1-3-6-10/h1-8,14-16H,9H2
InChIKeyUXMBMKABUOTHHL-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.58
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

1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
CID 84735897
2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735697
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
(5R,7S)-5-(aminomethyl)-7-phenyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 57031457
(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 71497499
1-(3-fluorophenyl)-4-methoxy-2,3-dihydro-1H-isoindole
CID 84737135
5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepin-9-ol
CID 84718493
4-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438006
2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737389
1-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole
CID 114605983
4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105447033

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3-dihydro-1H-isoindol-4-ol?
The IUPAC name of 1-phenyl-2,3-dihydro-1H-isoindol-4-ol (CID 84734564) is 1-phenyl-2,3-dihydro-1H-isoindol-4-ol.
What is the SMILES notation for 1-phenyl-2,3-dihydro-1H-isoindol-4-ol?
The canonical SMILES for 1-phenyl-2,3-dihydro-1H-isoindol-4-ol is Oc1cccc2c1CNC2c1ccccc1.
What is the InChIKey of 1-phenyl-2,3-dihydro-1H-isoindol-4-ol?
The InChIKey is UXMBMKABUOTHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-13-8-4-7-11-12(13)9-15-14(11)10-5-2-1-3-6-10/h1-8,14-16H,9H2.
What are the key properties of 1-phenyl-2,3-dihydro-1H-isoindol-4-ol?
1-phenyl-2,3-dihydro-1H-isoindol-4-ol has a molecular weight of 211.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3-dihydro-1H-isoindol-4-ol is sourced from PubChem (CID 84734564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).