(4-hydroxyphenyl) chloromethanesulfonate

C7H7ClO4S — CID 14479818

IUPAC(4-hydroxyphenyl) chloromethanesulfonate
SMILESO=S(=O)(CCl)Oc1ccc(O)cc1
InChIInChI=1S/C7H7ClO4S/c8-5-13(10,11)12-7-3-1-6(9)2-4-7/h1-4,9H,5H2
InChIKeySCTASVSATHHSMF-UHFFFAOYSA-N
MW222.65 g/mol
LogP1.30
Rot. Bonds3

About (4-hydroxyphenyl) chloromethanesulfonate

(4-hydroxyphenyl) chloromethanesulfonate (PubChem CID 14479818) has the molecular formula C7H7ClO4S and a molecular weight of 222.65 g/mol. Its IUPAC name is (4-hydroxyphenyl) chloromethanesulfonate.

Molecular Properties

Compound Name(4-hydroxyphenyl) chloromethanesulfonate
PubChem CID14479818
Molecular FormulaC7H7ClO4S
Molecular Weight222.65 g/mol
Exact Mass221.98
IUPAC Name(4-hydroxyphenyl) chloromethanesulfonate
SMILESO=S(=O)(CCl)Oc1ccc(O)cc1
InChIInChI=1S/C7H7ClO4S/c8-5-13(10,11)12-7-3-1-6(9)2-4-7/h1-4,9H,5H2
InChIKeySCTASVSATHHSMF-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(4-methylsulfonyloxyphenyl) chloromethanesulfonate
CID 15611778
(4-carbamoylphenyl) chloromethanesulfonate
CID 15611750
(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate
CID 139609378
(4-hydroxyphenyl) methanesulfonate
CID 572998
[4-(hydroperoxymethyl)phenyl] 2-chloroethanesulfonate
CID 20688515
4-(chloromethylsulfonyl)phenol
CID 12707629
(3,4,5-trimethylphenyl) chloromethanesulfonate
CID 95563995
(4-chlorophenyl) 2-chloroethanesulfonate
CID 13193323
(4-acetylphenyl) 2-chloroethanesulfonate
CID 13193326
(4-methoxyphenyl) hydroxymethanesulfonate
CID 140999217
1-chloro-N-(4-hydroxyphenyl)methanesulfonamide
CID 63666171
(4-methoxyphenyl) 2-methylprop-2-ene-1-sulfonate
CID 71390856

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) chloromethanesulfonate?
The IUPAC name of (4-hydroxyphenyl) chloromethanesulfonate (CID 14479818) is (4-hydroxyphenyl) chloromethanesulfonate.
What is the SMILES notation for (4-hydroxyphenyl) chloromethanesulfonate?
The canonical SMILES for (4-hydroxyphenyl) chloromethanesulfonate is O=S(=O)(CCl)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) chloromethanesulfonate?
The InChIKey is SCTASVSATHHSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4S/c8-5-13(10,11)12-7-3-1-6(9)2-4-7/h1-4,9H,5H2.
What are the key properties of (4-hydroxyphenyl) chloromethanesulfonate?
(4-hydroxyphenyl) chloromethanesulfonate has a molecular weight of 222.65 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) chloromethanesulfonate is sourced from PubChem (CID 14479818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).