4-(2,6-dichloro-1H-indol-3-yl)phenol

C14H9Cl2NO — CID 57318318

IUPAC4-(2,6-dichloro-1H-indol-3-yl)phenol
SMILESOc1ccc(-c2c(Cl)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C14H9Cl2NO/c15-9-3-6-11-12(7-9)17-14(16)13(11)8-1-4-10(18)5-2-8/h1-7,17-18H
InChIKeyVEUPWPPADVCCEQ-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.85
Rot. Bonds1

About 4-(2,6-dichloro-1H-indol-3-yl)phenol

4-(2,6-dichloro-1H-indol-3-yl)phenol (PubChem CID 57318318) has the molecular formula C14H9Cl2NO and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-(2,6-dichloro-1H-indol-3-yl)phenol.

Molecular Properties

Compound Name4-(2,6-dichloro-1H-indol-3-yl)phenol
PubChem CID57318318
Molecular FormulaC14H9Cl2NO
Molecular Weight278.14 g/mol
Exact Mass277.01
IUPAC Name4-(2,6-dichloro-1H-indol-3-yl)phenol
SMILESOc1ccc(-c2c(Cl)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C14H9Cl2NO/c15-9-3-6-11-12(7-9)17-14(16)13(11)8-1-4-10(18)5-2-8/h1-7,17-18H
InChIKeyVEUPWPPADVCCEQ-UHFFFAOYSA-N
XLogP4.85
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-(2,6-dichloro-1H-indol-3-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-1H-indol-3-yl)phenol?
The IUPAC name of 4-(2,6-dichloro-1H-indol-3-yl)phenol (CID 57318318) is 4-(2,6-dichloro-1H-indol-3-yl)phenol.
What is the SMILES notation for 4-(2,6-dichloro-1H-indol-3-yl)phenol?
The canonical SMILES for 4-(2,6-dichloro-1H-indol-3-yl)phenol is Oc1ccc(-c2c(Cl)[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 4-(2,6-dichloro-1H-indol-3-yl)phenol?
The InChIKey is VEUPWPPADVCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO/c15-9-3-6-11-12(7-9)17-14(16)13(11)8-1-4-10(18)5-2-8/h1-7,17-18H.
What are the key properties of 4-(2,6-dichloro-1H-indol-3-yl)phenol?
4-(2,6-dichloro-1H-indol-3-yl)phenol has a molecular weight of 278.14 g/mol, XLogP of 4.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-1H-indol-3-yl)phenol is sourced from PubChem (CID 57318318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).