2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol

C20H13ClFNO — CID 129098371

IUPAC2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1-c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H13ClFNO/c21-15-4-7-18-14(9-15)11-19(23-18)17-10-13(3-8-20(17)24)12-1-5-16(22)6-2-12/h1-11,23-24H
InChIKeyMADKHVWYLOKZQG-UHFFFAOYSA-N
MW337.78 g/mol
LogP6.00
Rot. Bonds2

About 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol

2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol (PubChem CID 129098371) has the molecular formula C20H13ClFNO and a molecular weight of 337.78 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol
PubChem CID129098371
Molecular FormulaC20H13ClFNO
Molecular Weight337.78 g/mol
Exact Mass337.07
IUPAC Name2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1-c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H13ClFNO/c21-15-4-7-18-14(9-15)11-19(23-18)17-10-13(3-8-20(17)24)12-1-5-16(22)6-2-12/h1-11,23-24H
InChIKeyMADKHVWYLOKZQG-UHFFFAOYSA-N
XLogP6.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.78
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol?
The IUPAC name of 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol (CID 129098371) is 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol.
What is the SMILES notation for 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol?
The canonical SMILES for 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol is Oc1ccc(-c2ccc(F)cc2)cc1-c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol?
The InChIKey is MADKHVWYLOKZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO/c21-15-4-7-18-14(9-15)11-19(23-18)17-10-13(3-8-20(17)24)12-1-5-16(22)6-2-12/h1-11,23-24H.
What are the key properties of 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol?
2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol has a molecular weight of 337.78 g/mol, XLogP of 6.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-2-yl)-4-(4-fluorophenyl)phenol is sourced from PubChem (CID 129098371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).