(1-cyclohexylsulfanyl-2-phenylethenyl)benzene

C20H22S — CID 175564264

IUPAC(1-cyclohexylsulfanyl-2-phenylethenyl)benzene
SMILESC(=C(SC1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22S/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)21-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2
InChIKeyBNQPQAXVJMPVQM-UHFFFAOYSA-N
MW294.46 g/mol
LogP6.25
Rot. Bonds4

About (1-cyclohexylsulfanyl-2-phenylethenyl)benzene

(1-cyclohexylsulfanyl-2-phenylethenyl)benzene (PubChem CID 175564264) has the molecular formula C20H22S and a molecular weight of 294.46 g/mol. Its IUPAC name is (1-cyclohexylsulfanyl-2-phenylethenyl)benzene.

Molecular Properties

Compound Name(1-cyclohexylsulfanyl-2-phenylethenyl)benzene
PubChem CID175564264
Molecular FormulaC20H22S
Molecular Weight294.46 g/mol
Exact Mass294.14
IUPAC Name(1-cyclohexylsulfanyl-2-phenylethenyl)benzene
SMILESC(=C(SC1CCCCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22S/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)21-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2
InChIKeyBNQPQAXVJMPVQM-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 9012
CID 9012
CID 10867
CID 10867
CID 12116
CID 12116
CID 13016
CID 13016
CID 122842
CID 122842
CID 69282
CID 69282
CID 21547
CID 21547
CID 13255
CID 13255
CID 571217
CID 571217
CID 611565
CID 611565
CID 284509
CID 284509
CID 139634
CID 139634

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylsulfanyl-2-phenylethenyl)benzene?
The IUPAC name of (1-cyclohexylsulfanyl-2-phenylethenyl)benzene (CID 175564264) is (1-cyclohexylsulfanyl-2-phenylethenyl)benzene.
What is the SMILES notation for (1-cyclohexylsulfanyl-2-phenylethenyl)benzene?
The canonical SMILES for (1-cyclohexylsulfanyl-2-phenylethenyl)benzene is C(=C(SC1CCCCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-cyclohexylsulfanyl-2-phenylethenyl)benzene?
The InChIKey is BNQPQAXVJMPVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22S/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)21-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2.
What are the key properties of (1-cyclohexylsulfanyl-2-phenylethenyl)benzene?
(1-cyclohexylsulfanyl-2-phenylethenyl)benzene has a molecular weight of 294.46 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylsulfanyl-2-phenylethenyl)benzene is sourced from PubChem (CID 175564264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).