(3-methylphenyl) (4-methylphenyl) sulfite

C14H14O3S — CID 174586791

IUPAC(3-methylphenyl) (4-methylphenyl) sulfite
SMILESCc1ccc(OS(=O)Oc2cccc(C)c2)cc1
InChIInChI=1S/C14H14O3S/c1-11-6-8-13(9-7-11)16-18(15)17-14-5-3-4-12(2)10-14/h3-10H,1-2H3
InChIKeyLGOMIQLAQWUAIG-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.34
Rot. Bonds4

About (3-methylphenyl) (4-methylphenyl) sulfite

(3-methylphenyl) (4-methylphenyl) sulfite (PubChem CID 174586791) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (3-methylphenyl) (4-methylphenyl) sulfite.

Molecular Properties

Compound Name(3-methylphenyl) (4-methylphenyl) sulfite
PubChem CID174586791
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(3-methylphenyl) (4-methylphenyl) sulfite
SMILESCc1ccc(OS(=O)Oc2cccc(C)c2)cc1
InChIInChI=1S/C14H14O3S/c1-11-6-8-13(9-7-11)16-18(15)17-14-5-3-4-12(2)10-14/h3-10H,1-2H3
InChIKeyLGOMIQLAQWUAIG-UHFFFAOYSA-N
XLogP3.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;1-methyl-3-(4-methylphenoxy)benzene;(3-methylphenyl) 3-methylbenzenesulfinate;(4-methylphenyl) 4-methylbenzenesulfinate;1,3-xylene
CID 161015999
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
2-(4-methylphenoxy)sulfinyloxybenzoic acid
CID 21129087
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
ethane;1,3-xylene;1,4-xylene
CID 145425556
methane;1,3-xylene;1,4-xylene
CID 161051420
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
2,4-bis(3-methylphenoxy)aniline
CID 34173748

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) (4-methylphenyl) sulfite?
The IUPAC name of (3-methylphenyl) (4-methylphenyl) sulfite (CID 174586791) is (3-methylphenyl) (4-methylphenyl) sulfite.
What is the SMILES notation for (3-methylphenyl) (4-methylphenyl) sulfite?
The canonical SMILES for (3-methylphenyl) (4-methylphenyl) sulfite is Cc1ccc(OS(=O)Oc2cccc(C)c2)cc1.
What is the InChIKey of (3-methylphenyl) (4-methylphenyl) sulfite?
The InChIKey is LGOMIQLAQWUAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-11-6-8-13(9-7-11)16-18(15)17-14-5-3-4-12(2)10-14/h3-10H,1-2H3.
What are the key properties of (3-methylphenyl) (4-methylphenyl) sulfite?
(3-methylphenyl) (4-methylphenyl) sulfite has a molecular weight of 262.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) (4-methylphenyl) sulfite is sourced from PubChem (CID 174586791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).