4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol

C18H20O7S — CID 24754471

IUPAC4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1O
InChIInChI=1S/C18H20O7S/c1-23-16-5-4-12(8-15(16)20)11-26(21,22)7-6-14-17(24-2)9-13(19)10-18(14)25-3/h4-10,19-20H,11H2,1-3H3/b7-6+
InChIKeyOTWGKUIKFHQDCG-VOTSOKGWSA-N
MW380.42 g/mol
LogP2.71
Rot. Bonds7

About 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol

4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol (PubChem CID 24754471) has the molecular formula C18H20O7S and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol
PubChem CID24754471
Molecular FormulaC18H20O7S
Molecular Weight380.42 g/mol
Exact Mass380.09
IUPAC Name4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol
SMILESCOc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1O
InChIInChI=1S/C18H20O7S/c1-23-16-5-4-12(8-15(16)20)11-26(21,22)7-6-14-17(24-2)9-13(19)10-18(14)25-3/h4-10,19-20H,11H2,1-3H3/b7-6+
InChIKeyOTWGKUIKFHQDCG-VOTSOKGWSA-N
XLogP2.71
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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CID 3085362

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol?
The IUPAC name of 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol (CID 24754471) is 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol?
The canonical SMILES for 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol is COc1ccc(CS(=O)(=O)/C=C/c2c(OC)cc(O)cc2OC)cc1O.
What is the InChIKey of 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol?
The InChIKey is OTWGKUIKFHQDCG-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H20O7S/c1-23-16-5-4-12(8-15(16)20)11-26(21,22)7-6-14-17(24-2)9-13(19)10-18(14)25-3/h4-10,19-20H,11H2,1-3H3/b7-6+.
What are the key properties of 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol?
4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol has a molecular weight of 380.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[(3-hydroxy-4-methoxyphenyl)methylsulfonyl]ethenyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 24754471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).