[4-(hydroxymethylsulfonyl)phenyl]methanol

C8H10O4S — CID 58553018

IUPAC[4-(hydroxymethylsulfonyl)phenyl]methanol
SMILESO=S(=O)(CO)c1ccc(CO)cc1
InChIInChI=1S/C8H10O4S/c9-5-7-1-3-8(4-2-7)13(11,12)6-10/h1-4,9-10H,5-6H2
InChIKeyANGPKYDKUVQOCM-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.10
Rot. Bonds3

About [4-(hydroxymethylsulfonyl)phenyl]methanol

[4-(hydroxymethylsulfonyl)phenyl]methanol (PubChem CID 58553018) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is [4-(hydroxymethylsulfonyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethylsulfonyl)phenyl]methanol
PubChem CID58553018
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name[4-(hydroxymethylsulfonyl)phenyl]methanol
SMILESO=S(=O)(CO)c1ccc(CO)cc1
InChIInChI=1S/C8H10O4S/c9-5-7-1-3-8(4-2-7)13(11,12)6-10/h1-4,9-10H,5-6H2
InChIKeyANGPKYDKUVQOCM-UHFFFAOYSA-N
XLogP-0.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(bromomethyl)phenyl]sulfonylmethanol
CID 21344055
[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
CID 572397
(4-iodophenyl)sulfonylmethanol
CID 58552975
4-(hydroxymethyl)benzenesulfonic acid;methanesulfonic acid
CID 166731783
(4-hydrazinylphenyl)sulfonylmethanol
CID 19819859
4-(hydroxymethylsulfonyl)benzamide
CID 58552991
ethyl 4-(hydroxymethyl)benzenesulfonate
CID 141309025
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanol
CID 63836085
4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
3-[4-(2-hydroxyethylsulfonyl)phenyl]propanoic acid
CID 43140844
(4-methylsulfonylphenyl)methanol;bis(tetrabutylazanium);sulfate
CID 175503749

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethylsulfonyl)phenyl]methanol?
The IUPAC name of [4-(hydroxymethylsulfonyl)phenyl]methanol (CID 58553018) is [4-(hydroxymethylsulfonyl)phenyl]methanol.
What is the SMILES notation for [4-(hydroxymethylsulfonyl)phenyl]methanol?
The canonical SMILES for [4-(hydroxymethylsulfonyl)phenyl]methanol is O=S(=O)(CO)c1ccc(CO)cc1.
What is the InChIKey of [4-(hydroxymethylsulfonyl)phenyl]methanol?
The InChIKey is ANGPKYDKUVQOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c9-5-7-1-3-8(4-2-7)13(11,12)6-10/h1-4,9-10H,5-6H2.
What are the key properties of [4-(hydroxymethylsulfonyl)phenyl]methanol?
[4-(hydroxymethylsulfonyl)phenyl]methanol has a molecular weight of 202.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethylsulfonyl)phenyl]methanol is sourced from PubChem (CID 58553018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).