(4-methoxyphenyl) 4-methoxybenzenesulfinate

C14H14O4S — CID 20694096

IUPAC(4-methoxyphenyl) 4-methoxybenzenesulfinate
SMILESCOc1ccc(OS(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O4S/c1-16-11-3-5-13(6-4-11)18-19(15)14-9-7-12(17-2)8-10-14/h3-10H,1-2H3
InChIKeyYIMWOXALIJWPHM-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.81
Rot. Bonds5

About (4-methoxyphenyl) 4-methoxybenzenesulfinate

(4-methoxyphenyl) 4-methoxybenzenesulfinate (PubChem CID 20694096) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-methoxybenzenesulfinate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-methoxybenzenesulfinate
PubChem CID20694096
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name(4-methoxyphenyl) 4-methoxybenzenesulfinate
SMILESCOc1ccc(OS(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C14H14O4S/c1-16-11-3-5-13(6-4-11)18-19(15)14-9-7-12(17-2)8-10-14/h3-10H,1-2H3
InChIKeyYIMWOXALIJWPHM-UHFFFAOYSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 4-methoxybenzenesulfinate
CID 20694097
(4-methylphenyl) 4-[4-(4-methoxyphenoxy)phenoxy]benzenesulfinate
CID 18683136
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
sodium (4-methoxyphenyl) sulfite
CID 175083766
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504483
1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921
(4-methoxyphenyl)silane
CID 100998160
(4-methoxyphenyl)-methyl-oxoazanium
CID 143688246
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-methoxybenzenesulfinate?
The IUPAC name of (4-methoxyphenyl) 4-methoxybenzenesulfinate (CID 20694096) is (4-methoxyphenyl) 4-methoxybenzenesulfinate.
What is the SMILES notation for (4-methoxyphenyl) 4-methoxybenzenesulfinate?
The canonical SMILES for (4-methoxyphenyl) 4-methoxybenzenesulfinate is COc1ccc(OS(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-methoxybenzenesulfinate?
The InChIKey is YIMWOXALIJWPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-16-11-3-5-13(6-4-11)18-19(15)14-9-7-12(17-2)8-10-14/h3-10H,1-2H3.
What are the key properties of (4-methoxyphenyl) 4-methoxybenzenesulfinate?
(4-methoxyphenyl) 4-methoxybenzenesulfinate has a molecular weight of 278.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-methoxybenzenesulfinate is sourced from PubChem (CID 20694096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).