1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene

C23H22O2S — CID 67108847

IUPAC1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene
SMILESCOc1cc(CSC(=Cc2ccccc2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C23H22O2S/c1-24-21-13-19(14-22(16-21)25-2)17-26-23(20-11-7-4-8-12-20)15-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3
InChIKeyQABXWXAKGFEGIM-UHFFFAOYSA-N
MW362.49 g/mol
LogP6.14
Rot. Bonds7

About 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene

1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene (PubChem CID 67108847) has the molecular formula C23H22O2S and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene
PubChem CID67108847
Molecular FormulaC23H22O2S
Molecular Weight362.49 g/mol
Exact Mass362.13
IUPAC Name1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene
SMILESCOc1cc(CSC(=Cc2ccccc2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C23H22O2S/c1-24-21-13-19(14-22(16-21)25-2)17-26-23(20-11-7-4-8-12-20)15-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3
InChIKeyQABXWXAKGFEGIM-UHFFFAOYSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-dodecylsulfanyl-2-phenylethenyl)benzene
CID 72811867
1-[(Z)-2-ethylsulfanyl-2-phenylethenyl]-4-methylbenzene
CID 71562360
2-(3,5-dimethoxyphenoxy)-3-phenylprop-2-enoic acid
CID 139651308
N,N-dimethoxy-1,2-diphenylethenamine
CID 90818413
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
3-(3,5-dimethoxyphenyl)-1-phenylprop-2-en-1-one
CID 54421018
1,3-dimethoxy-5-(3-phenylprop-2-ynyl)benzene
CID 67418685
3-methoxy-5-(phenylsulfanylmethyl)aniline
CID 81150568
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
[(E)-2-benzylsulfanyl-2-methylselanylethenyl]benzene
CID 11438560
1-[2-chloro-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]but-2-enyl]-4-methoxybenzene;1,2-diphenylethenylbenzene
CID 159192069

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene?
The IUPAC name of 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene (CID 67108847) is 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene.
What is the SMILES notation for 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene?
The canonical SMILES for 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene is COc1cc(CSC(=Cc2ccccc2)c2ccccc2)cc(OC)c1.
What is the InChIKey of 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene?
The InChIKey is QABXWXAKGFEGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2S/c1-24-21-13-19(14-22(16-21)25-2)17-26-23(20-11-7-4-8-12-20)15-18-9-5-3-6-10-18/h3-16H,17H2,1-2H3.
What are the key properties of 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene?
1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene has a molecular weight of 362.49 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethenylsulfanylmethyl)-3,5-dimethoxybenzene is sourced from PubChem (CID 67108847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).