1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol

C14H17IO2S — CID 71360128

IUPAC1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
SMILESO=S(C=C(I)C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C14H17IO2S/c15-13(14(16)9-5-2-6-10-14)11-18(17)12-7-3-1-4-8-12/h1,3-4,7-8,11,16H,2,5-6,9-10H2
InChIKeyRPURLXGOKMKMFO-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.77
Rot. Bonds3

About 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol

1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol (PubChem CID 71360128) has the molecular formula C14H17IO2S and a molecular weight of 376.26 g/mol. Its IUPAC name is 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
PubChem CID71360128
Molecular FormulaC14H17IO2S
Molecular Weight376.26 g/mol
Exact Mass376.00
IUPAC Name1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
SMILESO=S(C=C(I)C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C14H17IO2S/c15-13(14(16)9-5-2-6-10-14)11-18(17)12-7-3-1-4-8-12/h1,3-4,7-8,11,16H,2,5-6,9-10H2
InChIKeyRPURLXGOKMKMFO-UHFFFAOYSA-N
XLogP3.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.77
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

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
Cyclohexanol, 1-[chloro(phenylsulfinyl)methyl]-
CID 298575
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
cis-(1R,2R)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 12700273
1-[(E)-2-(benzenesulfonyl)ethenyl]cyclohexan-1-ol
CID 14785612
1-(1-Phenylsulfanylethenyl)cyclohexan-1-ol
CID 15442002
cis-(1S,2S)-1-methyl-2-phenylsulfanylcyclohexan-1-ol
CID 10353521
1-[(Z)-1-bromo-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11483798
1-(1-Phenylsulfanylethyl)cyclohexan-1-ol
CID 11736509
1-[3-Methyl-1-(phenylsulfanyl)buta-1,2-dien-1-yl]cyclohexan-1-ol
CID 13171782
1-[(E)-2-(benzenesulfinyl)ethenyl]cyclohexan-1-ol
CID 101088183

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol (CID 71360128) is 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol is O=S(C=C(I)C1(O)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol?
The InChIKey is RPURLXGOKMKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IO2S/c15-13(14(16)9-5-2-6-10-14)11-18(17)12-7-3-1-4-8-12/h1,3-4,7-8,11,16H,2,5-6,9-10H2.
What are the key properties of 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol?
1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol has a molecular weight of 376.26 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol is sourced from PubChem (CID 71360128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).