2-methoxy-4-(4-methylsulfonylphenyl)phenol

C14H14O4S — CID 53221054

IUPAC2-methoxy-4-(4-methylsulfonylphenyl)phenol
SMILESCOc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1O
InChIInChI=1S/C14H14O4S/c1-18-14-9-11(5-8-13(14)15)10-3-6-12(7-4-10)19(2,16)17/h3-9,15H,1-2H3
InChIKeyVPKHEIDAWHBSRI-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.47
Rot. Bonds3

About 2-methoxy-4-(4-methylsulfonylphenyl)phenol

2-methoxy-4-(4-methylsulfonylphenyl)phenol (PubChem CID 53221054) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-methoxy-4-(4-methylsulfonylphenyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(4-methylsulfonylphenyl)phenol
PubChem CID53221054
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-methoxy-4-(4-methylsulfonylphenyl)phenol
SMILESCOc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1O
InChIInChI=1S/C14H14O4S/c1-18-14-9-11(5-8-13(14)15)10-3-6-12(7-4-10)19(2,16)17/h3-9,15H,1-2H3
InChIKeyVPKHEIDAWHBSRI-UHFFFAOYSA-N
XLogP2.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-(4-methylsulfonylphenyl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
CID 53221096
calcium;hydride;4-hydroxy-3-methoxybenzenesulfonic acid
CID 174743804
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
2-methoxy-4-[(1S)-1-(4-methylphenyl)sulfonylethyl]phenol
CID 92524489
6-(3,4-dimethoxyphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 18934035
3-methoxy-4-(4-methylsulfonylphenyl)benzoic acid
CID 53228122
5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-1,2,3-trimethoxybenzene
CID 23451125
4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide
CID 175820078
4-(4-hydroxy-3-methoxyphenyl)-1-methylpyridin-2-one
CID 15429190

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methylsulfonylphenyl)phenol?
The IUPAC name of 2-methoxy-4-(4-methylsulfonylphenyl)phenol (CID 53221054) is 2-methoxy-4-(4-methylsulfonylphenyl)phenol.
What is the SMILES notation for 2-methoxy-4-(4-methylsulfonylphenyl)phenol?
The canonical SMILES for 2-methoxy-4-(4-methylsulfonylphenyl)phenol is COc1cc(-c2ccc(S(C)(=O)=O)cc2)ccc1O.
What is the InChIKey of 2-methoxy-4-(4-methylsulfonylphenyl)phenol?
The InChIKey is VPKHEIDAWHBSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-18-14-9-11(5-8-13(14)15)10-3-6-12(7-4-10)19(2,16)17/h3-9,15H,1-2H3.
What are the key properties of 2-methoxy-4-(4-methylsulfonylphenyl)phenol?
2-methoxy-4-(4-methylsulfonylphenyl)phenol has a molecular weight of 278.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methylsulfonylphenyl)phenol is sourced from PubChem (CID 53221054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).