(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol

C9H9IO2S — CID 101088179

IUPAC(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol
SMILESO=S(/C=C(\I)CO)c1ccccc1
InChIInChI=1S/C9H9IO2S/c10-8(6-11)7-13(12)9-4-2-1-3-5-9/h1-5,7,11H,6H2/b8-7-
InChIKeyCSVOLUIDBOILBX-FPLPWBNLSA-N
MW308.14 g/mol
LogP2.06
Rot. Bonds3

About (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol

(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol (PubChem CID 101088179) has the molecular formula C9H9IO2S and a molecular weight of 308.14 g/mol. Its IUPAC name is (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol
PubChem CID101088179
Molecular FormulaC9H9IO2S
Molecular Weight308.14 g/mol
Exact Mass307.94
IUPAC Name(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol
SMILESO=S(/C=C(\I)CO)c1ccccc1
InChIInChI=1S/C9H9IO2S/c10-8(6-11)7-13(12)9-4-2-1-3-5-9/h1-5,7,11H,6H2/b8-7-
InChIKeyCSVOLUIDBOILBX-FPLPWBNLSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
CID 71360128
benzenesulfinylformaldehyde
CID 174391009
[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
CID 138974661
(E)-4-(benzenesulfinyl)-3-bromo-2-methylbut-3-en-2-ol
CID 134935679
(Z)-5-[(R)-(4-methylphenyl)sulfinyl]-4-phenylpent-4-en-1-ol
CID 11301041
(E)-1-(benzenesulfinyl)-N,N-diethyl-3-phenylprop-1-en-2-amine
CID 10519280
2-iodoprop-2-enylsulfinylbenzene
CID 10685022
methyl (E)-3-(benzenesulfinyl)prop-2-enoate
CID 11095882
[(Z)-hex-1-enyl]sulfinylbenzene
CID 11275798
propa-1,2-dienylsulfinylbenzene
CID 11367191
1-[1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene
CID 131737199

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol?
The IUPAC name of (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol (CID 101088179) is (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol?
The canonical SMILES for (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol is O=S(/C=C(\I)CO)c1ccccc1.
What is the InChIKey of (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol?
The InChIKey is CSVOLUIDBOILBX-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H9IO2S/c10-8(6-11)7-13(12)9-4-2-1-3-5-9/h1-5,7,11H,6H2/b8-7-.
What are the key properties of (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol?
(Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol has a molecular weight of 308.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzenesulfinyl)-2-iodoprop-2-en-1-ol is sourced from PubChem (CID 101088179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).