2-[(2-methoxyphenyl)methylsulfonyl]phenol

C14H14O4S — CID 174818780

IUPAC2-[(2-methoxyphenyl)methylsulfonyl]phenol
SMILESCOc1ccccc1CS(=O)(=O)c1ccccc1O
InChIInChI=1S/C14H14O4S/c1-18-13-8-4-2-6-11(13)10-19(16,17)14-9-5-3-7-12(14)15/h2-9,15H,10H2,1H3
InChIKeyPIUGRNVOEBQAAM-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.37
Rot. Bonds4

About 2-[(2-methoxyphenyl)methylsulfonyl]phenol

2-[(2-methoxyphenyl)methylsulfonyl]phenol (PubChem CID 174818780) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylsulfonyl]phenol.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylsulfonyl]phenol
PubChem CID174818780
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-[(2-methoxyphenyl)methylsulfonyl]phenol
SMILESCOc1ccccc1CS(=O)(=O)c1ccccc1O
InChIInChI=1S/C14H14O4S/c1-18-13-8-4-2-6-11(13)10-19(16,17)14-9-5-3-7-12(14)15/h2-9,15H,10H2,1H3
InChIKeyPIUGRNVOEBQAAM-UHFFFAOYSA-N
XLogP2.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylsulfonyl]phenol?
The IUPAC name of 2-[(2-methoxyphenyl)methylsulfonyl]phenol (CID 174818780) is 2-[(2-methoxyphenyl)methylsulfonyl]phenol.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylsulfonyl]phenol?
The canonical SMILES for 2-[(2-methoxyphenyl)methylsulfonyl]phenol is COc1ccccc1CS(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-[(2-methoxyphenyl)methylsulfonyl]phenol?
The InChIKey is PIUGRNVOEBQAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-18-13-8-4-2-6-11(13)10-19(16,17)14-9-5-3-7-12(14)15/h2-9,15H,10H2,1H3.
What are the key properties of 2-[(2-methoxyphenyl)methylsulfonyl]phenol?
2-[(2-methoxyphenyl)methylsulfonyl]phenol has a molecular weight of 278.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylsulfonyl]phenol is sourced from PubChem (CID 174818780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).