1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene

C13H10ClFOS — CID 69006936

IUPAC1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene
SMILESCOc1cccc(Cl)c1Sc1cccc(F)c1
InChIInChI=1S/C13H10ClFOS/c1-16-12-7-3-6-11(14)13(12)17-10-5-2-4-9(15)8-10/h2-8H,1H3
InChIKeyHQKHYHFSYAKEGD-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.64
Rot. Bonds3

About 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene

1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene (PubChem CID 69006936) has the molecular formula C13H10ClFOS and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene.

Molecular Properties

Compound Name1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene
PubChem CID69006936
Molecular FormulaC13H10ClFOS
Molecular Weight268.74 g/mol
Exact Mass268.01
IUPAC Name1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene
SMILESCOc1cccc(Cl)c1Sc1cccc(F)c1
InChIInChI=1S/C13H10ClFOS/c1-16-12-7-3-6-11(14)13(12)17-10-5-2-4-9(15)8-10/h2-8H,1H3
InChIKeyHQKHYHFSYAKEGD-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene?
The IUPAC name of 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene (CID 69006936) is 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene.
What is the SMILES notation for 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene?
The canonical SMILES for 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene is COc1cccc(Cl)c1Sc1cccc(F)c1.
What is the InChIKey of 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene?
The InChIKey is HQKHYHFSYAKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFOS/c1-16-12-7-3-6-11(14)13(12)17-10-5-2-4-9(15)8-10/h2-8H,1H3.
What are the key properties of 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene?
1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene has a molecular weight of 268.74 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-fluorophenyl)sulfanyl-3-methoxybenzene is sourced from PubChem (CID 69006936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).