1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene

C14H12F2OS — CID 164892505

IUPAC1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
SMILESCSc1c(F)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C14H12F2OS/c1-18-14-11(15)7-8-12(13(14)16)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYWZKGUCIGFERPH-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.27
Rot. Bonds4

About 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene

1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene (PubChem CID 164892505) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
PubChem CID164892505
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
SMILESCSc1c(F)ccc(OCc2ccccc2)c1F
InChIInChI=1S/C14H12F2OS/c1-18-14-11(15)7-8-12(13(14)16)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyYWZKGUCIGFERPH-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
CID 171368097
2-fluoro-1-methoxy-3-methylsulfanyl-4-phenylmethoxybenzene
CID 164893709
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-(2,6-difluoro-3-phenylmethoxyphenyl)pyridine
CID 174635964
2-tert-butyl-4-methylsulfanyl-1-phenylmethoxybenzene
CID 126677080
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
1-ethenyl-2,3-difluoro-4-phenylmethoxybenzene
CID 172563052
4-fluoro-1-methyl-5-phenylmethoxyindole
CID 71034305
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene?
The IUPAC name of 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene (CID 164892505) is 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene?
The canonical SMILES for 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene is CSc1c(F)ccc(OCc2ccccc2)c1F.
What is the InChIKey of 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene?
The InChIKey is YWZKGUCIGFERPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-18-14-11(15)7-8-12(13(14)16)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene?
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene has a molecular weight of 266.31 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene is sourced from PubChem (CID 164892505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).