1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene

C18H20O4S — CID 123182803

IUPAC1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene
SMILESCOc1cc(OC)c(S(C)(=O)=O)cc1CC=Cc1ccccc1
InChIInChI=1S/C18H20O4S/c1-21-16-13-17(22-2)18(23(3,19)20)12-15(16)11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11H2,1-3H3
InChIKeyORYUQWDTNQCUFJ-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.36
Rot. Bonds6

About 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene

1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene (PubChem CID 123182803) has the molecular formula C18H20O4S and a molecular weight of 332.42 g/mol. Its IUPAC name is 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene.

Molecular Properties

Compound Name1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene
PubChem CID123182803
Molecular FormulaC18H20O4S
Molecular Weight332.42 g/mol
Exact Mass332.11
IUPAC Name1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene
SMILESCOc1cc(OC)c(S(C)(=O)=O)cc1CC=Cc1ccccc1
InChIInChI=1S/C18H20O4S/c1-21-16-13-17(22-2)18(23(3,19)20)12-15(16)11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11H2,1-3H3
InChIKeyORYUQWDTNQCUFJ-UHFFFAOYSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 15305963
2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
CID 141285952
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
CID 159607739
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
1-(2,5-dimethoxy-4-methylsulfonylphenyl)-N-methylmethanamine
CID 116927354
1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
CID 149234765
4-methoxy-3-[[(E)-3-phenylprop-2-enyl]amino]benzoic acid
CID 17058701
[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate
CID 46834834
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
1-(3-phenylprop-2-enyl)-2-(2,2,4,4-tetramethylpentan-3-yloxy)benzene
CID 70537226

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene?
The IUPAC name of 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene (CID 123182803) is 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene.
What is the SMILES notation for 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene?
The canonical SMILES for 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene is COc1cc(OC)c(S(C)(=O)=O)cc1CC=Cc1ccccc1.
What is the InChIKey of 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene?
The InChIKey is ORYUQWDTNQCUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4S/c1-21-16-13-17(22-2)18(23(3,19)20)12-15(16)11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11H2,1-3H3.
What are the key properties of 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene?
1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene has a molecular weight of 332.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-2-methylsulfonyl-4-(3-phenylprop-2-enyl)benzene is sourced from PubChem (CID 123182803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).