4-chloro-2,3-dihydro-1H-indol-7-ol

C8H8ClNO — CID 84653626

IUPAC4-chloro-2,3-dihydro-1H-indol-7-ol
SMILESOc1ccc(Cl)c2c1NCC2
InChIInChI=1S/C8H8ClNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-2,10-11H,3-4H2
InChIKeyJXQMPZADWVVJOE-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.01
Rot. Bonds

About 4-chloro-2,3-dihydro-1H-indol-7-ol

4-chloro-2,3-dihydro-1H-indol-7-ol (PubChem CID 84653626) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 4-chloro-2,3-dihydro-1H-indol-7-ol.

Molecular Properties

Compound Name4-chloro-2,3-dihydro-1H-indol-7-ol
PubChem CID84653626
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name4-chloro-2,3-dihydro-1H-indol-7-ol
SMILESOc1ccc(Cl)c2c1NCC2
InChIInChI=1S/C8H8ClNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-2,10-11H,3-4H2
InChIKeyJXQMPZADWVVJOE-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydro-1H-indol-7-ol
CID 13699411
9-chloro-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
CID 4562472
2,3-dihydro-1H-indol-7-ol hydrochloride
CID 72710387
5-Chloro-1,2,3,4-tetrahydroquinolin-8-ol
CID 6485776
(3aR,4S,9bS)-9-chloro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-ol
CID 135069858
4-fluoro-2,3-dihydro-1H-indol-7-ol
CID 84649719
6-fluoro-2,3-dihydro-1H-indol-7-ol
CID 84649722
3-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
CID 84652617
2-(fluoromethyl)-2,3-dihydro-1H-indol-7-ol
CID 84652620
3-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
CID 84657879
2-(1-fluoroethyl)-2,3-dihydro-1H-indol-7-ol
CID 84657885
2-(difluoromethyl)-2,3-dihydro-1H-indol-7-ol
CID 84659926

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydro-1H-indol-7-ol?
The IUPAC name of 4-chloro-2,3-dihydro-1H-indol-7-ol (CID 84653626) is 4-chloro-2,3-dihydro-1H-indol-7-ol.
What is the SMILES notation for 4-chloro-2,3-dihydro-1H-indol-7-ol?
The canonical SMILES for 4-chloro-2,3-dihydro-1H-indol-7-ol is Oc1ccc(Cl)c2c1NCC2.
What is the InChIKey of 4-chloro-2,3-dihydro-1H-indol-7-ol?
The InChIKey is JXQMPZADWVVJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-2,10-11H,3-4H2.
What are the key properties of 4-chloro-2,3-dihydro-1H-indol-7-ol?
4-chloro-2,3-dihydro-1H-indol-7-ol has a molecular weight of 169.61 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydro-1H-indol-7-ol is sourced from PubChem (CID 84653626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).