2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol

C14H14O4S — CID 54347733

IUPAC2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol
SMILESO=S(=O)(Cc1ccccc1O)Cc1ccccc1O
InChIInChI=1S/C14H14O4S/c15-13-7-3-1-5-11(13)9-19(17,18)10-12-6-2-4-8-14(12)16/h1-8,15-16H,9-10H2
InChIKeyUDMKLJMOJTUCSF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.21
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol

2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol (PubChem CID 54347733) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol
PubChem CID54347733
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol
SMILESO=S(=O)(Cc1ccccc1O)Cc1ccccc1O
InChIInChI=1S/C14H14O4S/c15-13-7-3-1-5-11(13)9-19(17,18)10-12-6-2-4-8-14(12)16/h1-8,15-16H,9-10H2
InChIKeyUDMKLJMOJTUCSF-UHFFFAOYSA-N
XLogP2.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
benzene;2-ethylphenol
CID 159726745
2-(2-methylsulfonylpropyl)phenol
CID 115028803
3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride
CID 117266592
CID 175749710
CID 175749710
formaldehyde;2-(hydroxymethyl)phenol
CID 69155710
magnesium;2-ethylphenol;chloride
CID 173391731
2-hydroxy-3-(2-hydroxyphenyl)propane-1-sulfonic acid
CID 115038803
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid
CID 70599857
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol?
The IUPAC name of 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol (CID 54347733) is 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol is O=S(=O)(Cc1ccccc1O)Cc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol?
The InChIKey is UDMKLJMOJTUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c15-13-7-3-1-5-11(13)9-19(17,18)10-12-6-2-4-8-14(12)16/h1-8,15-16H,9-10H2.
What are the key properties of 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol?
2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol has a molecular weight of 278.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylsulfonylmethyl]phenol is sourced from PubChem (CID 54347733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).