4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol

C16H18O6S — CID 155775575

IUPAC4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol
SMILESCOc1cc(CS(=O)(=O)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H18O6S/c1-21-15-7-11(3-5-13(15)17)9-23(19,20)10-12-4-6-14(18)16(8-12)22-2/h3-8,17-18H,9-10H2,1-2H3
InChIKeyZDZZWKYYYMAVFD-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.23
Rot. Bonds6

About 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol

4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol (PubChem CID 155775575) has the molecular formula C16H18O6S and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol
PubChem CID155775575
Molecular FormulaC16H18O6S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Name4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol
SMILESCOc1cc(CS(=O)(=O)Cc2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C16H18O6S/c1-21-15-7-11(3-5-13(15)17)9-23(19,20)10-12-4-6-14(18)16(8-12)22-2/h3-8,17-18H,9-10H2,1-2H3
InChIKeyZDZZWKYYYMAVFD-UHFFFAOYSA-N
XLogP2.23
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol?
The IUPAC name of 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol (CID 155775575) is 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol?
The canonical SMILES for 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol is COc1cc(CS(=O)(=O)Cc2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol?
The InChIKey is ZDZZWKYYYMAVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6S/c1-21-15-7-11(3-5-13(15)17)9-23(19,20)10-12-4-6-14(18)16(8-12)22-2/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol?
4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol has a molecular weight of 338.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3-methoxyphenyl)methylsulfonylmethyl]-2-methoxyphenol is sourced from PubChem (CID 155775575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).