[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol

C14H14O4S — CID 572397

IUPAC[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1)c1ccc(CO)cc1
InChIInChI=1S/C14H14O4S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
InChIKeyYRRRLFOYLAGUKD-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.50
Rot. Bonds4

About [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol

[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol (PubChem CID 572397) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
PubChem CID572397
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccc(CO)cc1)c1ccc(CO)cc1
InChIInChI=1S/C14H14O4S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
InChIKeyYRRRLFOYLAGUKD-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
[4-(hydroxymethylsulfonyl)phenyl]methanol
CID 58553018
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
4-(hydroxymethyl)benzenesulfonic acid;methanesulfonic acid
CID 166731783
ethyl 4-(hydroxymethyl)benzenesulfonate
CID 141309025
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085
CID 70636806
CID 70636806
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
[4-(hydroxymethyl)phenyl]sulfonyl-dimethyl-phenylazanium
CID 58225770
[4-(hydroxymethyl)phenyl]methyl 4-methylbenzenesulfonate
CID 87769781
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136

Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol?
The IUPAC name of [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol (CID 572397) is [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol.
What is the SMILES notation for [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol?
The canonical SMILES for [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol is O=S(=O)(c1ccc(CO)cc1)c1ccc(CO)cc1.
What is the InChIKey of [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol?
The InChIKey is YRRRLFOYLAGUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2.
What are the key properties of [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol?
[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol has a molecular weight of 278.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol is sourced from PubChem (CID 572397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).