(6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone

C17H12ClF2NO3 — CID 90743175

IUPAC(6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone
SMILESCc1cc2cc(O)c(Cl)cc2n1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12ClF2NO3/c1-9-6-11-7-15(22)13(18)8-14(11)21(9)16(23)10-2-4-12(5-3-10)24-17(19)20/h2-8,17,22H,1H3
InChIKeyWGBHZTALZPJWBC-UHFFFAOYSA-N
MW351.74 g/mol
LogP4.60
Rot. Bonds3

About (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone

(6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone (PubChem CID 90743175) has the molecular formula C17H12ClF2NO3 and a molecular weight of 351.74 g/mol. Its IUPAC name is (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone
PubChem CID90743175
Molecular FormulaC17H12ClF2NO3
Molecular Weight351.74 g/mol
Exact Mass351.05
IUPAC Name(6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone
SMILESCc1cc2cc(O)c(Cl)cc2n1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12ClF2NO3/c1-9-6-11-7-15(22)13(18)8-14(11)21(9)16(23)10-2-4-12(5-3-10)24-17(19)20/h2-8,17,22H,1H3
InChIKeyWGBHZTALZPJWBC-UHFFFAOYSA-N
XLogP4.60
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
The IUPAC name of (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone (CID 90743175) is (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone.
What is the SMILES notation for (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
The canonical SMILES for (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone is Cc1cc2cc(O)c(Cl)cc2n1C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
The InChIKey is WGBHZTALZPJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2NO3/c1-9-6-11-7-15(22)13(18)8-14(11)21(9)16(23)10-2-4-12(5-3-10)24-17(19)20/h2-8,17,22H,1H3.
What are the key properties of (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone?
(6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone has a molecular weight of 351.74 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-hydroxy-2-methylindol-1-yl)-[4-(difluoromethoxy)phenyl]methanone is sourced from PubChem (CID 90743175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).