[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene

C20H20S — CID 101392256

IUPAC[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene
SMILESC1=C(/C(=C/c2ccccc2)Sc2ccccc2)CCCC1
InChIInChI=1S/C20H20S/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)21-19-14-8-3-9-15-19/h1,3-5,8-12,14-16H,2,6-7,13H2/b20-16-
InChIKeyAMHBWYPZQBZAKU-SILNSSARSA-N
MW292.45 g/mol
LogP6.32
Rot. Bonds4

About [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene

[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene (PubChem CID 101392256) has the molecular formula C20H20S and a molecular weight of 292.45 g/mol. Its IUPAC name is [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene
PubChem CID101392256
Molecular FormulaC20H20S
Molecular Weight292.45 g/mol
Exact Mass292.13
IUPAC Name[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene
SMILESC1=C(/C(=C/c2ccccc2)Sc2ccccc2)CCCC1
InChIInChI=1S/C20H20S/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)21-19-14-8-3-9-15-19/h1,3-5,8-12,14-16H,2,6-7,13H2/b20-16-
InChIKeyAMHBWYPZQBZAKU-SILNSSARSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.45
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene?
The IUPAC name of [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene (CID 101392256) is [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene?
The canonical SMILES for [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene is C1=C(/C(=C/c2ccccc2)Sc2ccccc2)CCCC1.
What is the InChIKey of [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene?
The InChIKey is AMHBWYPZQBZAKU-SILNSSARSA-N. The full InChI is InChI=1S/C20H20S/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)21-19-14-8-3-9-15-19/h1,3-5,8-12,14-16H,2,6-7,13H2/b20-16-.
What are the key properties of [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene?
[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene has a molecular weight of 292.45 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 101392256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).