1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol

C14H13NO2 — CID 84735897

IUPAC1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
SMILESOc1ccc(C2NCc3c(O)cccc32)cc1
InChIInChI=1S/C14H13NO2/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(17)12(11)8-15-14/h1-7,14-17H,8H2
InChIKeySQMFTJCQTQEFTD-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.29
Rot. Bonds1

About 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol

1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol (PubChem CID 84735897) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
PubChem CID84735897
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol
SMILESOc1ccc(C2NCc3c(O)cccc32)cc1
InChIInChI=1S/C14H13NO2/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(17)12(11)8-15-14/h1-7,14-17H,8H2
InChIKeySQMFTJCQTQEFTD-UHFFFAOYSA-N
XLogP2.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2,3-dihydro-1H-isoindol-4-ol
CID 84734564
1-cyclopentyl-2,3-dihydro-1H-isoindol-4-ol
CID 84733976
2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735697
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041
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
(4S)-4-(4-hydroxyphenyl)-3,4-dihydro-2H-phthalazin-1-one
CID 143781226
4-(2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105447033
8-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one
CID 163076287
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 105438005
(1S)-1-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 27108865

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol?
The IUPAC name of 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol (CID 84735897) is 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol?
The canonical SMILES for 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol is Oc1ccc(C2NCc3c(O)cccc32)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol?
The InChIKey is SQMFTJCQTQEFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-10-6-4-9(5-7-10)14-11-2-1-3-13(17)12(11)8-15-14/h1-7,14-17H,8H2.
What are the key properties of 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol?
1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol has a molecular weight of 227.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindol-4-ol is sourced from PubChem (CID 84735897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).