1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene

C15H14OS — CID 10776571

IUPAC1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESCOc1ccc(S/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14OS/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-12H,1H3/b12-11+
InChIKeyLLLCPSOBXBVEEZ-VAWYXSNFSA-N
MW242.34 g/mol
LogP4.46
Rot. Bonds4

About 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene

1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene (PubChem CID 10776571) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene
PubChem CID10776571
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESCOc1ccc(S/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H14OS/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-12H,1H3/b12-11+
InChIKeyLLLCPSOBXBVEEZ-VAWYXSNFSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The IUPAC name of 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene (CID 10776571) is 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene is COc1ccc(S/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene?
The InChIKey is LLLCPSOBXBVEEZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H14OS/c1-16-14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-12H,1H3/b12-11+.
What are the key properties of 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene?
1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene has a molecular weight of 242.34 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 10776571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).