2-(4-bromophenyl)-1-chloroindol-3-ol

C14H9BrClNO — CID 174940731

IUPAC2-(4-bromophenyl)-1-chloroindol-3-ol
SMILESOc1c(-c2ccc(Br)cc2)n(Cl)c2ccccc12
InChIInChI=1S/C14H9BrClNO/c15-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)17(13)16/h1-8,18H
InChIKeyLKJKUNDCOHMPNP-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.78
Rot. Bonds1

About 2-(4-bromophenyl)-1-chloroindol-3-ol

2-(4-bromophenyl)-1-chloroindol-3-ol (PubChem CID 174940731) has the molecular formula C14H9BrClNO and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-chloroindol-3-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-chloroindol-3-ol
PubChem CID174940731
Molecular FormulaC14H9BrClNO
Molecular Weight322.59 g/mol
Exact Mass320.96
IUPAC Name2-(4-bromophenyl)-1-chloroindol-3-ol
SMILESOc1c(-c2ccc(Br)cc2)n(Cl)c2ccccc12
InChIInChI=1S/C14H9BrClNO/c15-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)17(13)16/h1-8,18H
InChIKeyLKJKUNDCOHMPNP-UHFFFAOYSA-N
XLogP4.78
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-chloroindol-3-ol?
The IUPAC name of 2-(4-bromophenyl)-1-chloroindol-3-ol (CID 174940731) is 2-(4-bromophenyl)-1-chloroindol-3-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1-chloroindol-3-ol?
The canonical SMILES for 2-(4-bromophenyl)-1-chloroindol-3-ol is Oc1c(-c2ccc(Br)cc2)n(Cl)c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-1-chloroindol-3-ol?
The InChIKey is LKJKUNDCOHMPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClNO/c15-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)17(13)16/h1-8,18H.
What are the key properties of 2-(4-bromophenyl)-1-chloroindol-3-ol?
2-(4-bromophenyl)-1-chloroindol-3-ol has a molecular weight of 322.59 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-chloroindol-3-ol is sourced from PubChem (CID 174940731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).