(4-phenylmethoxyphenyl) benzenesulfonate

C19H16O4S — CID 7227856

IUPAC(4-phenylmethoxyphenyl) benzenesulfonate
SMILESO=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C19H16O4S/c20-24(21,19-9-5-2-6-10-19)23-18-13-11-17(12-14-18)22-15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyRGJFNLCJMKVAGX-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.03
Rot. Bonds6

About (4-phenylmethoxyphenyl) benzenesulfonate

(4-phenylmethoxyphenyl) benzenesulfonate (PubChem CID 7227856) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) benzenesulfonate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) benzenesulfonate
PubChem CID7227856
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name(4-phenylmethoxyphenyl) benzenesulfonate
SMILESO=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C19H16O4S/c20-24(21,19-9-5-2-6-10-19)23-18-13-11-17(12-14-18)22-15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKeyRGJFNLCJMKVAGX-UHFFFAOYSA-N
XLogP4.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
(4-phenylmethoxyphenyl) thiophene-2-sulfonate
CID 26948159
[4-(1-phenylmethoxyethyl)phenyl] benzenesulfonate
CID 87298537
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
phenoxymethylbenzene;sulfuric acid
CID 68982967
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967
[4-(2-phenylmethoxybutan-2-yl)phenyl] benzenesulfonate
CID 87298411
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974
2-(4-phenylmethoxyphenyl)sulfonylphenol
CID 14178379
(4-phenylmethoxyphenyl) 5-chloro-2-methoxybenzenesulfonate
CID 2282214
[4-[[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzenesulfonate
CID 3395646

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) benzenesulfonate?
The IUPAC name of (4-phenylmethoxyphenyl) benzenesulfonate (CID 7227856) is (4-phenylmethoxyphenyl) benzenesulfonate.
What is the SMILES notation for (4-phenylmethoxyphenyl) benzenesulfonate?
The canonical SMILES for (4-phenylmethoxyphenyl) benzenesulfonate is O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of (4-phenylmethoxyphenyl) benzenesulfonate?
The InChIKey is RGJFNLCJMKVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c20-24(21,19-9-5-2-6-10-19)23-18-13-11-17(12-14-18)22-15-16-7-3-1-4-8-16/h1-14H,15H2.
What are the key properties of (4-phenylmethoxyphenyl) benzenesulfonate?
(4-phenylmethoxyphenyl) benzenesulfonate has a molecular weight of 340.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) benzenesulfonate is sourced from PubChem (CID 7227856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).