2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol

C14H12ClNO — CID 84737389

IUPAC2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
SMILESOc1ccccc1C1NCc2cccc(Cl)c21
InChIInChI=1S/C14H12ClNO/c15-11-6-3-4-9-8-16-14(13(9)11)10-5-1-2-7-12(10)17/h1-7,14,16-17H,8H2
InChIKeyYPHYVDJCWIGDNM-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.24
Rot. Bonds1

About 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol

2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol (PubChem CID 84737389) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol.

Molecular Properties

Compound Name2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
PubChem CID84737389
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol
SMILESOc1ccccc1C1NCc2cccc(Cl)c21
InChIInChI=1S/C14H12ClNO/c15-11-6-3-4-9-8-16-14(13(9)11)10-5-1-2-7-12(10)17/h1-7,14,16-17H,8H2
InChIKeyYPHYVDJCWIGDNM-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.24
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
(1R)-7-chloro-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130707262
7-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737224
3-propan-2-yl-2,3-dihydro-1H-isoindol-4-ol
CID 84732147
1-(2-chlorophenyl)-5-methyl-2,3-dihydro-1H-isoindole
CID 84737209
2-(4-methyl-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84735697
1-(2,6-dichlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 2867658
2-(4-chloro-2,3-dihydro-1H-inden-1-yl)phenol
CID 173127017
5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584706
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
(1S,8S)-3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 95564315

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol?
The IUPAC name of 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol (CID 84737389) is 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol.
What is the SMILES notation for 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol?
The canonical SMILES for 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol is Oc1ccccc1C1NCc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol?
The InChIKey is YPHYVDJCWIGDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-11-6-3-4-9-8-16-14(13(9)11)10-5-1-2-7-12(10)17/h1-7,14,16-17H,8H2.
What are the key properties of 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol?
2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol has a molecular weight of 245.71 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,3-dihydro-1H-isoindol-1-yl)phenol is sourced from PubChem (CID 84737389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).