2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate

C19H15O4S- — CID 174520543

IUPAC2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate
SMILESO=S([O-])c1ccc(OCc2ccccc2)cc1-c1ccc(O)cc1
InChIInChI=1S/C19H16O4S/c20-16-8-6-15(7-9-16)18-12-17(10-11-19(18)24(21)22)23-13-14-4-2-1-3-5-14/h1-12,20H,13H2,(H,21,22)/p-1
InChIKeyGQTMQCCNXFRONC-UHFFFAOYSA-M
MW339.39 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate

2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate (PubChem CID 174520543) has the molecular formula C19H15O4S- and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate
PubChem CID174520543
Molecular FormulaC19H15O4S-
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate
SMILESO=S([O-])c1ccc(OCc2ccccc2)cc1-c1ccc(O)cc1
InChIInChI=1S/C19H16O4S/c20-16-8-6-15(7-9-16)18-12-17(10-11-19(18)24(21)22)23-13-14-4-2-1-3-5-14/h1-12,20H,13H2,(H,21,22)/p-1
InChIKeyGQTMQCCNXFRONC-UHFFFAOYSA-M
XLogP3.88
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-nitro-4-phenylmethoxyphenyl)phenol
CID 66934266
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
4-[2-(4-methylsulfonylphenyl)-6-phenylmethoxynaphthalen-1-yl]oxyphenol
CID 170775302
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
3-methylsulfinyl-4-phenylmethoxyphenol
CID 22574460
phenoxymethylbenzene;2-phenylphenol
CID 159234068
2-fluoro-4-(4-hydroxyphenyl)benzonitrile;2-fluoro-4-(4-phenylmethoxyphenyl)benzonitrile
CID 23173787

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate?
The IUPAC name of 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate (CID 174520543) is 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate is O=S([O-])c1ccc(OCc2ccccc2)cc1-c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate?
The InChIKey is GQTMQCCNXFRONC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16O4S/c20-16-8-6-15(7-9-16)18-12-17(10-11-19(18)24(21)22)23-13-14-4-2-1-3-5-14/h1-12,20H,13H2,(H,21,22)/p-1.
What are the key properties of 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate?
2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate has a molecular weight of 339.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate is sourced from PubChem (CID 174520543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).