1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene

C25H26O2S — CID 10408088

IUPAC1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene
SMILESCCCCC(=C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H26O2S/c1-3-4-15-24(20-16-18-23(19-17-20)28(2,26)27)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
InChIKeyQQERLQWDENETQT-UHFFFAOYSA-N
MW390.55 g/mol
LogP6.24
Rot. Bonds7

About 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene

1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene (PubChem CID 10408088) has the molecular formula C25H26O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene
PubChem CID10408088
Molecular FormulaC25H26O2S
Molecular Weight390.55 g/mol
Exact Mass390.17
IUPAC Name1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene
SMILESCCCCC(=C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H26O2S/c1-3-4-15-24(20-16-18-23(19-17-20)28(2,26)27)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
InChIKeyQQERLQWDENETQT-UHFFFAOYSA-N
XLogP6.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene?
The IUPAC name of 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene (CID 10408088) is 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene.
What is the SMILES notation for 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene?
The canonical SMILES for 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene is CCCCC(=C(c1ccccc1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene?
The InChIKey is QQERLQWDENETQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2S/c1-3-4-15-24(20-16-18-23(19-17-20)28(2,26)27)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3.
What are the key properties of 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene?
1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene has a molecular weight of 390.55 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenylhex-1-en-2-yl)-4-methylsulfonylbenzene is sourced from PubChem (CID 10408088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).