2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene

C36H38O8S — CID 68534389

IUPAC2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene
SMILESCOc1ccccc1C=CC(c1c(OC)cccc1OC)S(=O)(=O)C(C=Cc1ccccc1OC)c1c(OC)cccc1OC
InChIInChI=1S/C36H38O8S/c1-39-27-15-9-7-13-25(27)21-23-33(35-29(41-3)17-11-18-30(35)42-4)45(37,38)34(24-22-26-14-8-10-16-28(26)40-2)36-31(43-5)19-12-20-32(36)44-6/h7-24,33-34H,1-6H3
InChIKeyXUALPJBVAXYDOV-UHFFFAOYSA-N
MW630.76 g/mol
LogP7.36
Rot. Bonds14

About 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene

2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene (PubChem CID 68534389) has the molecular formula C36H38O8S and a molecular weight of 630.76 g/mol. Its IUPAC name is 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene
PubChem CID68534389
Molecular FormulaC36H38O8S
Molecular Weight630.76 g/mol
Exact Mass630.23
IUPAC Name2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene
SMILESCOc1ccccc1C=CC(c1c(OC)cccc1OC)S(=O)(=O)C(C=Cc1ccccc1OC)c1c(OC)cccc1OC
InChIInChI=1S/C36H38O8S/c1-39-27-15-9-7-13-25(27)21-23-33(35-29(41-3)17-11-18-30(35)42-4)45(37,38)34(24-22-26-14-8-10-16-28(26)40-2)36-31(43-5)19-12-20-32(36)44-6/h7-24,33-34H,1-6H3
InChIKeyXUALPJBVAXYDOV-UHFFFAOYSA-N
XLogP7.36
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.76
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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(E)-1-amino-4-(2-methoxyphenyl)but-3-en-2-ol
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CID 68534181
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
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(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
CID 103092844
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
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CID 177481549
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene?
The IUPAC name of 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene (CID 68534389) is 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene?
The canonical SMILES for 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene is COc1ccccc1C=CC(c1c(OC)cccc1OC)S(=O)(=O)C(C=Cc1ccccc1OC)c1c(OC)cccc1OC.
What is the InChIKey of 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene?
The InChIKey is XUALPJBVAXYDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38O8S/c1-39-27-15-9-7-13-25(27)21-23-33(35-29(41-3)17-11-18-30(35)42-4)45(37,38)34(24-22-26-14-8-10-16-28(26)40-2)36-31(43-5)19-12-20-32(36)44-6/h7-24,33-34H,1-6H3.
What are the key properties of 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene?
2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene has a molecular weight of 630.76 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enyl]sulfonyl-3-(2-methoxyphenyl)prop-2-enyl]-1,3-dimethoxybenzene is sourced from PubChem (CID 68534389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).