2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene

C20H17FOS — CID 23543296

IUPAC2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene
SMILESCc1ccc(Sc2ccc(OCc3ccccc3)c(F)c2)cc1
InChIInChI=1S/C20H17FOS/c1-15-7-9-17(10-8-15)23-18-11-12-20(19(21)13-18)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyYUDDBXRDRQXDMH-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.86
Rot. Bonds5

About 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene

2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene (PubChem CID 23543296) has the molecular formula C20H17FOS and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene
PubChem CID23543296
Molecular FormulaC20H17FOS
Molecular Weight324.42 g/mol
Exact Mass324.10
IUPAC Name2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene
SMILESCc1ccc(Sc2ccc(OCc3ccccc3)c(F)c2)cc1
InChIInChI=1S/C20H17FOS/c1-15-7-9-17(10-8-15)23-18-11-12-20(19(21)13-18)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyYUDDBXRDRQXDMH-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenol, 4-((4-(phenylmethoxy)phenyl)sulfonyl)-
CID 113063
1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
1-Methyl-3-{4-[(4-methylphenyl)sulfonyl]phenoxy}benzene
CID 786799
N-{[4-(Benzyloxy)phenyl](methyl)-lambda4-sulfanylidene}-4-methylbenzenesulfonamide
CID 9583267
Oxirane, 2-methyl-2-((4-((4-(phenylmethoxy)phenyl)sulfonyl)phenoxy)methyl)-
CID 11718506
Bis (4-methylphenyl)-
CID 140202473
S-(4-methylphenyl) (4-methoxyphenoxy)ethanethioate
CID 797378
S-(4-methylphenyl) (4-methylphenoxy)ethanethioate
CID 799745
S-(4-methylphenyl) (2-methylphenoxy)ethanethioate
CID 800081
3-[2-(Benzyloxy)phenyl]-2-[(4-methylphenyl)sulfonyl]acrylonitrile
CID 2304323
1-methoxy-2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 70682593

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene (CID 23543296) is 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene is Cc1ccc(Sc2ccc(OCc3ccccc3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene?
The InChIKey is YUDDBXRDRQXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FOS/c1-15-7-9-17(10-8-15)23-18-11-12-20(19(21)13-18)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene?
2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene has a molecular weight of 324.42 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)sulfanyl-1-phenylmethoxybenzene is sourced from PubChem (CID 23543296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).