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

Name: 2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₁Cl₂FO₃S — CID 158823188

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol
PubChem CID	158823188
Molecular Formula	C₁₇H₁₁Cl₂FO₃S
Molecular Weight	385.24 g/mol
Exact Mass	383.98
IUPAC Name	2,4-dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol
SMILES	O=S(=O)(Cc1cccc2cccc(F)c12)c1cc(Cl)cc(Cl)c1O
InChI	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
InChIKey	QHEDFEWNFCLSPX-UHFFFAOYSA-N
XLogP	4.97
TPSA	54.37 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.24
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 158823188 — identifiers, structure, computed properties (public domain)

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