4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol

C20H13ClFNO — CID 129098386

IUPAC4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol
SMILESOc1ccc(-c2ccc(Cl)cc2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H13ClFNO/c21-15-4-1-12(2-5-15)13-3-8-20(24)17(10-13)19-11-14-9-16(22)6-7-18(14)23-19/h1-11,23-24H
InChIKeyRKTQQFLCYCAEGH-UHFFFAOYSA-N
MW337.78 g/mol
LogP6.00
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol

4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol (PubChem CID 129098386) has the molecular formula C20H13ClFNO and a molecular weight of 337.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol
PubChem CID129098386
Molecular FormulaC20H13ClFNO
Molecular Weight337.78 g/mol
Exact Mass337.07
IUPAC Name4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol
SMILESOc1ccc(-c2ccc(Cl)cc2)cc1-c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H13ClFNO/c21-15-4-1-12(2-5-15)13-3-8-20(24)17(10-13)19-11-14-9-16(22)6-7-18(14)23-19/h1-11,23-24H
InChIKeyRKTQQFLCYCAEGH-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 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol?
The IUPAC name of 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol (CID 129098386) is 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol?
The canonical SMILES for 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol is Oc1ccc(-c2ccc(Cl)cc2)cc1-c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol?
The InChIKey is RKTQQFLCYCAEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO/c21-15-4-1-12(2-5-15)13-3-8-20(24)17(10-13)19-11-14-9-16(22)6-7-18(14)23-19/h1-11,23-24H.
What are the key properties of 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol?
4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)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 4-(4-chlorophenyl)-2-(5-fluoro-1H-indol-2-yl)phenol is sourced from PubChem (CID 129098386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).