2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol

C17H11Cl2FO3S — CID 158823188

IUPAC2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cccc2cccc(F)c12)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H11Cl2FO3S/c18-12-7-13(19)17(21)15(8-12)24(22,23)9-11-5-1-3-10-4-2-6-14(20)16(10)11/h1-8,21H,9H2
InChIKeyQHEDFEWNFCLSPX-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.97
Rot. Bonds3

About 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol

2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol (PubChem CID 158823188) has the molecular formula C17H11Cl2FO3S and a molecular weight of 385.24 g/mol. Its IUPAC name is 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol
PubChem CID158823188
Molecular FormulaC17H11Cl2FO3S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Name2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cccc2cccc(F)c12)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H11Cl2FO3S/c18-12-7-13(19)17(21)15(8-12)24(22,23)9-11-5-1-3-10-4-2-6-14(20)16(10)11/h1-8,21H,9H2
InChIKeyQHEDFEWNFCLSPX-UHFFFAOYSA-N
XLogP4.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol (CID 158823188) is 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol is O=S(=O)(Cc1cccc2cccc(F)c12)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol?
The InChIKey is QHEDFEWNFCLSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FO3S/c18-12-7-13(19)17(21)15(8-12)24(22,23)9-11-5-1-3-10-4-2-6-14(20)16(10)11/h1-8,21H,9H2.
What are the key properties of 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol?
2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol has a molecular weight of 385.24 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol is sourced from PubChem (CID 158823188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).