4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene

C15H15FS — CID 142923215

IUPAC4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene
SMILESCSc1ccc(Cc2cc(F)ccc2C)cc1
InChIInChI=1S/C15H15FS/c1-11-3-6-14(16)10-13(11)9-12-4-7-15(17-2)8-5-12/h3-8,10H,9H2,1-2H3
InChIKeyQVVRAXFDNIVFRS-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.45
Rot. Bonds3

About 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene

4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene (PubChem CID 142923215) has the molecular formula C15H15FS and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene
PubChem CID142923215
Molecular FormulaC15H15FS
Molecular Weight246.35 g/mol
Exact Mass246.09
IUPAC Name4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene
SMILESCSc1ccc(Cc2cc(F)ccc2C)cc1
InChIInChI=1S/C15H15FS/c1-11-3-6-14(16)10-13(11)9-12-4-7-15(17-2)8-5-12/h3-8,10H,9H2,1-2H3
InChIKeyQVVRAXFDNIVFRS-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
bis(1-ethyl-4-fluorobenzene);4-fluoro-1,2-dimethylbenzene
CID 143106792
1-ethyl-4-methylsulfanylbenzene
CID 142218139
1-benzyl-4-methylsulfanylbenzene
CID 23524923
N-fluoro-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 142839672
1-(chloromethyl)-2-[(4-methylsulfanylphenyl)methyl]benzene
CID 154098209
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
2-[(5-fluoro-2-methylphenyl)methylsulfanyl]propan-1-amine
CID 105371930
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
methyl 2-[6-fluoro-3-methyl-4-[(4-methylsulfanylphenyl)methyl]naphthalen-2-yl]acetate
CID 143993118

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene?
The IUPAC name of 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene (CID 142923215) is 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene.
What is the SMILES notation for 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene?
The canonical SMILES for 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene is CSc1ccc(Cc2cc(F)ccc2C)cc1.
What is the InChIKey of 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene?
The InChIKey is QVVRAXFDNIVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FS/c1-11-3-6-14(16)10-13(11)9-12-4-7-15(17-2)8-5-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene?
4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene has a molecular weight of 246.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-[(4-methylsulfanylphenyl)methyl]benzene is sourced from PubChem (CID 142923215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).