1-phenoxy-2-phenylsulfanylbenzene

C18H14OS — CID 13262661

IUPAC1-phenoxy-2-phenylsulfanylbenzene
SMILESc1ccc(Oc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C18H14OS/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-14H
InChIKeyYUDPDPSBLSRFNW-UHFFFAOYSA-N
MW278.38 g/mol
LogP5.63
Rot. Bonds4

About 1-phenoxy-2-phenylsulfanylbenzene

1-phenoxy-2-phenylsulfanylbenzene (PubChem CID 13262661) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-phenoxy-2-phenylsulfanylbenzene.

Molecular Properties

Compound Name1-phenoxy-2-phenylsulfanylbenzene
PubChem CID13262661
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name1-phenoxy-2-phenylsulfanylbenzene
SMILESc1ccc(Oc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C18H14OS/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-14H
InChIKeyYUDPDPSBLSRFNW-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.38
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-2-phenylsulfanylbenzene?
The IUPAC name of 1-phenoxy-2-phenylsulfanylbenzene (CID 13262661) is 1-phenoxy-2-phenylsulfanylbenzene.
What is the SMILES notation for 1-phenoxy-2-phenylsulfanylbenzene?
The canonical SMILES for 1-phenoxy-2-phenylsulfanylbenzene is c1ccc(Oc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-2-phenylsulfanylbenzene?
The InChIKey is YUDPDPSBLSRFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16/h1-14H.
What are the key properties of 1-phenoxy-2-phenylsulfanylbenzene?
1-phenoxy-2-phenylsulfanylbenzene has a molecular weight of 278.38 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-2-phenylsulfanylbenzene is sourced from PubChem (CID 13262661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).