2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene

C15H15FO2S — CID 164893709

IUPAC2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene
SMILESCOc1ccc(OCc2ccccc2)c(SC)c1F
InChIInChI=1S/C15H15FO2S/c1-17-12-8-9-13(15(19-2)14(12)16)18-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyJNEOAFOXBWNJSN-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.14
Rot. Bonds5

About 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene

2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene (PubChem CID 164893709) has the molecular formula C15H15FO2S and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene
PubChem CID164893709
Molecular FormulaC15H15FO2S
Molecular Weight278.35 g/mol
Exact Mass278.08
IUPAC Name2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene
SMILESCOc1ccc(OCc2ccccc2)c(SC)c1F
InChIInChI=1S/C15H15FO2S/c1-17-12-8-9-13(15(19-2)14(12)16)18-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyJNEOAFOXBWNJSN-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
CID 171368097
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2,3-difluoro-1-methoxy-4-[(4-methylphenyl)methoxy]benzene
CID 123795943
1-(2-fluoro-6-methoxy-3-phenylmethoxyphenyl)propan-2-ol
CID 117469072
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
3-methoxy-4-phenylmethoxyaniline
CID 27226
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene?
The IUPAC name of 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene (CID 164893709) is 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene is COc1ccc(OCc2ccccc2)c(SC)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene?
The InChIKey is JNEOAFOXBWNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO2S/c1-17-12-8-9-13(15(19-2)14(12)16)18-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene?
2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene has a molecular weight of 278.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene is sourced from PubChem (CID 164893709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).