1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene

C19H14ClFOS — CID 175457842

IUPAC1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene
SMILESCc1ccccc1Sc1c(Cl)cccc1Oc1cccc(F)c1
InChIInChI=1S/C19H14ClFOS/c1-13-6-2-3-11-18(13)23-19-16(20)9-5-10-17(19)22-15-8-4-7-14(21)12-15/h2-12H,1H3
InChIKeyWCPWHVFHLFWQAS-UHFFFAOYSA-N
MW344.84 g/mol
LogP6.73
Rot. Bonds4

About 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene

1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene (PubChem CID 175457842) has the molecular formula C19H14ClFOS and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene
PubChem CID175457842
Molecular FormulaC19H14ClFOS
Molecular Weight344.84 g/mol
Exact Mass344.04
IUPAC Name1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene
SMILESCc1ccccc1Sc1c(Cl)cccc1Oc1cccc(F)c1
InChIInChI=1S/C19H14ClFOS/c1-13-6-2-3-11-18(13)23-19-16(20)9-5-10-17(19)22-15-8-4-7-14(21)12-15/h2-12H,1H3
InChIKeyWCPWHVFHLFWQAS-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene?
The IUPAC name of 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene (CID 175457842) is 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene is Cc1ccccc1Sc1c(Cl)cccc1Oc1cccc(F)c1.
What is the InChIKey of 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene?
The InChIKey is WCPWHVFHLFWQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFOS/c1-13-6-2-3-11-18(13)23-19-16(20)9-5-10-17(19)22-15-8-4-7-14(21)12-15/h2-12H,1H3.
What are the key properties of 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene?
1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene has a molecular weight of 344.84 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-fluorophenoxy)-2-(2-methylphenyl)sulfanylbenzene is sourced from PubChem (CID 175457842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).