(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate

C13H11ClO4S — CID 139609378

IUPAC(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C13H11ClO4S/c14-11-3-1-10(2-4-11)9-19(16,17)18-13-7-5-12(15)6-8-13/h1-8,15H,9H2
InChIKeyUCEKCHKJCFWGCR-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.95
Rot. Bonds4

About (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate

(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate (PubChem CID 139609378) has the molecular formula C13H11ClO4S and a molecular weight of 298.75 g/mol. Its IUPAC name is (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate.

Molecular Properties

Compound Name(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate
PubChem CID139609378
Molecular FormulaC13H11ClO4S
Molecular Weight298.75 g/mol
Exact Mass298.01
IUPAC Name(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C13H11ClO4S/c14-11-3-1-10(2-4-11)9-19(16,17)18-13-7-5-12(15)6-8-13/h1-8,15H,9H2
InChIKeyUCEKCHKJCFWGCR-UHFFFAOYSA-N
XLogP2.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxyphenyl) chloromethanesulfonate
CID 14479818
(4-chlorophenyl) 2-chloroethanesulfonate
CID 13193323
(4-chlorophenyl)methanesulfonic acid
CID 13354140
bis(4-chlorophenyl) sulfate
CID 57162501
(3,4-dichlorophenyl) (4-fluorophenyl)methanesulfonate
CID 32673387
(4-chlorophenyl) 2-phenylethanesulfonate
CID 14572616
4-chlorophenol
CID 4684
(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 88814973
(4-chlorophenyl) trifluoromethanesulfonate
CID 581424
(4-cyanophenyl) (3,4-dichlorophenyl)methanesulfonate
CID 56514564
(4-hydroxyphenyl) methanesulfonate
CID 572998
2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
CID 91594906

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate?
The IUPAC name of (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate (CID 139609378) is (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate.
What is the SMILES notation for (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate?
The canonical SMILES for (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate is O=S(=O)(Cc1ccc(Cl)cc1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate?
The InChIKey is UCEKCHKJCFWGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO4S/c14-11-3-1-10(2-4-11)9-19(16,17)18-13-7-5-12(15)6-8-13/h1-8,15H,9H2.
What are the key properties of (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate?
(4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate has a molecular weight of 298.75 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) (4-chlorophenyl)methanesulfonate is sourced from PubChem (CID 139609378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).