2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol

C14H11Cl2FO3S — CID 147557130

IUPAC2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol
SMILESCc1cc(F)cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl2FO3S/c1-8-2-9(4-11(17)3-8)7-21(19,20)13-6-10(15)5-12(16)14(13)18/h2-6,18H,7H2,1H3
InChIKeyFRWVZVYAWIVGHM-UHFFFAOYSA-N
MW349.21 g/mol
LogP4.12
Rot. Bonds3

About 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol

2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol (PubChem CID 147557130) has the molecular formula C14H11Cl2FO3S and a molecular weight of 349.21 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol
PubChem CID147557130
Molecular FormulaC14H11Cl2FO3S
Molecular Weight349.21 g/mol
Exact Mass347.98
IUPAC Name2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol
SMILESCc1cc(F)cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C14H11Cl2FO3S/c1-8-2-9(4-11(17)3-8)7-21(19,20)13-6-10(15)5-12(16)14(13)18/h2-6,18H,7H2,1H3
InChIKeyFRWVZVYAWIVGHM-UHFFFAOYSA-N
XLogP4.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxichloron
CID 1368742
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-fluorophenol
CID 148186575
2,4-Dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 153492328
2,4-Dichloro-6-[(2,5-difluorophenyl)methylsulfonyl]phenol
CID 153492351
1-[3-[(3,5-Dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone
CID 157430543
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylphenol
CID 157570543
2,4-Dichloro-6-[2-(2-fluoro-5-phenylphenyl)ethylsulfonyl]phenol
CID 157742680
2,4-Dichloro-6-[(8-fluoronaphthalen-1-yl)methylsulfonyl]phenol
CID 158823188
2,4-Dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol
CID 159479800
2-Chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]-4-methylsulfonylphenol
CID 159794463
2,4-Dichloro-6-[(2-fluoro-4-methylphenyl)methylsulfonyl]phenol
CID 160249506
4-Chloro-2-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 160792353

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol (CID 147557130) is 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol is Cc1cc(F)cc(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol?
The InChIKey is FRWVZVYAWIVGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO3S/c1-8-2-9(4-11(17)3-8)7-21(19,20)13-6-10(15)5-12(16)14(13)18/h2-6,18H,7H2,1H3.
What are the key properties of 2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol?
2,4-dichloro-6-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol has a molecular weight of 349.21 g/mol, XLogP of 4.12, 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-[(3-fluoro-5-methylphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 147557130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).