1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene

C21H18OS — CID 156786997

IUPAC1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene
SMILESCOc1ccc(SC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18OS/c1-22-19-12-14-20(15-13-19)23-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyDHVNXSWIKRATGV-UHFFFAOYSA-N
MW318.44 g/mol
LogP5.88
Rot. Bonds5

About 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene

1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene (PubChem CID 156786997) has the molecular formula C21H18OS and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene
PubChem CID156786997
Molecular FormulaC21H18OS
Molecular Weight318.44 g/mol
Exact Mass318.11
IUPAC Name1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene
SMILESCOc1ccc(SC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18OS/c1-22-19-12-14-20(15-13-19)23-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyDHVNXSWIKRATGV-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene?
The IUPAC name of 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene (CID 156786997) is 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene?
The canonical SMILES for 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene is COc1ccc(SC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene?
The InChIKey is DHVNXSWIKRATGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18OS/c1-22-19-12-14-20(15-13-19)23-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16H,1H3.
What are the key properties of 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene?
1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene has a molecular weight of 318.44 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenylsulfanyl)-4-methoxybenzene is sourced from PubChem (CID 156786997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).