1-(4-iodophenoxy)-4-methylsulfinylbenzene

C13H11IO2S — CID 118066659

IUPAC1-(4-iodophenoxy)-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C13H11IO2S/c1-17(15)13-8-6-12(7-9-13)16-11-4-2-10(14)3-5-11/h2-9H,1H3
InChIKeyCUODYJGQVYVNJE-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.82
Rot. Bonds3

About 1-(4-iodophenoxy)-4-methylsulfinylbenzene

1-(4-iodophenoxy)-4-methylsulfinylbenzene (PubChem CID 118066659) has the molecular formula C13H11IO2S and a molecular weight of 358.20 g/mol. Its IUPAC name is 1-(4-iodophenoxy)-4-methylsulfinylbenzene.

Molecular Properties

Compound Name1-(4-iodophenoxy)-4-methylsulfinylbenzene
PubChem CID118066659
Molecular FormulaC13H11IO2S
Molecular Weight358.20 g/mol
Exact Mass357.95
IUPAC Name1-(4-iodophenoxy)-4-methylsulfinylbenzene
SMILESCS(=O)c1ccc(Oc2ccc(I)cc2)cc1
InChIInChI=1S/C13H11IO2S/c1-17(15)13-8-6-12(7-9-13)16-11-4-2-10(14)3-5-11/h2-9H,1H3
InChIKeyCUODYJGQVYVNJE-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-iodophenoxy)-4-methylsulfinylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodo-4-[4-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494530
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
4-(4-iodophenoxy)phenol
CID 12940617
1-(difluoromethoxy)-4-methylsulfinylbenzene;hydrate
CID 156822834
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664
1-iodo-4-[3-[4-(4-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494478
4-methylsulfinylaniline
CID 11435065
CID 123682153
CID 123682153
4-(4-iodophenoxy)benzenesulfonamide
CID 43164749
propan-2-yl (R)-4-iodobenzenesulfinate
CID 171061225
1-dodecoxy-4-[(S)-methylsulfinyl]benzene
CID 98141576

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenoxy)-4-methylsulfinylbenzene?
The IUPAC name of 1-(4-iodophenoxy)-4-methylsulfinylbenzene (CID 118066659) is 1-(4-iodophenoxy)-4-methylsulfinylbenzene.
What is the SMILES notation for 1-(4-iodophenoxy)-4-methylsulfinylbenzene?
The canonical SMILES for 1-(4-iodophenoxy)-4-methylsulfinylbenzene is CS(=O)c1ccc(Oc2ccc(I)cc2)cc1.
What is the InChIKey of 1-(4-iodophenoxy)-4-methylsulfinylbenzene?
The InChIKey is CUODYJGQVYVNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO2S/c1-17(15)13-8-6-12(7-9-13)16-11-4-2-10(14)3-5-11/h2-9H,1H3.
What are the key properties of 1-(4-iodophenoxy)-4-methylsulfinylbenzene?
1-(4-iodophenoxy)-4-methylsulfinylbenzene has a molecular weight of 358.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenoxy)-4-methylsulfinylbenzene is sourced from PubChem (CID 118066659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).