1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol

C14H13BrClNO — CID 81274785

IUPAC1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO/c15-11-5-4-9(16)8-13(11)17-7-6-10-12(17)2-1-3-14(10)18/h4-8,14,18H,1-3H2
InChIKeyJIWQELATPJXDDV-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.26
Rot. Bonds1

About 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol

1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 81274785) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID81274785
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO/c15-11-5-4-9(16)8-13(11)17-7-6-10-12(17)2-1-3-14(10)18/h4-8,14,18H,1-3H2
InChIKeyJIWQELATPJXDDV-UHFFFAOYSA-N
XLogP4.26
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol (CID 81274785) is 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2-c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is JIWQELATPJXDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-11-5-4-9(16)8-13(11)17-7-6-10-12(17)2-1-3-14(10)18/h4-8,14,18H,1-3H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 326.62 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 81274785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).